N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide

C30H30N8O3 — CID 176572579

IUPACN-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C3CC3)cnn2)cc1-c1cc(NCCO)nc(-c2ccnc(NC(=O)C3CC3)c2)n1
InChIInChI=1S/C30H30N8O3/c1-17-2-7-22(34-30(41)25-12-21(16-33-38-25)18-3-4-18)14-23(17)24-15-27(32-10-11-39)36-28(35-24)20-8-9-31-26(13-20)37-29(40)19-5-6-19/h2,7-9,12-16,18-19,39H,3-6,10-11H2,1H3,(H,34,41)(H,31,37,40)(H,32,35,36)
InChIKeyBPRLNGIKAFCUKN-UHFFFAOYSA-N
MW550.62 g/mol
LogP4.19
Rot. Bonds10

About N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide

N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide (PubChem CID 176572579) has the molecular formula C30H30N8O3 and a molecular weight of 550.62 g/mol. Its IUPAC name is N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide
PubChem CID176572579
Molecular FormulaC30H30N8O3
Molecular Weight550.62 g/mol
Exact Mass550.24
IUPAC NameN-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C3CC3)cnn2)cc1-c1cc(NCCO)nc(-c2ccnc(NC(=O)C3CC3)c2)n1
InChIInChI=1S/C30H30N8O3/c1-17-2-7-22(34-30(41)25-12-21(16-33-38-25)18-3-4-18)14-23(17)24-15-27(32-10-11-39)36-28(35-24)20-8-9-31-26(13-20)37-29(40)19-5-6-19/h2,7-9,12-16,18-19,39H,3-6,10-11H2,1H3,(H,34,41)(H,31,37,40)(H,32,35,36)
InChIKeyBPRLNGIKAFCUKN-UHFFFAOYSA-N
XLogP4.19
TPSA154.91 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.62
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine
CID 176565500
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide
CID 176572347
N-[3-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyridazin-3-yl]-4-methylphenyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 169024658
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 168930367
2-(2-cyanopropan-2-yl)-N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 168930124
N-[4-[4-[5-[[(Z,2E)-4-amino-2-(aminomethylidene)-4-cyclopropylbut-3-enoyl]amino]-2-methylphenyl]pyrimidin-2-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 168929276
N-[3-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 176572342
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 176572432
N-[3-[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-2-yl]-4-methylphenyl]-2-(1-propylcyclopropyl)pyridine-4-carboxamide
CID 168930170
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
N-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide
CID 176803150
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
CID 168930595

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide?
The IUPAC name of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide (CID 176572579) is N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide.
What is the SMILES notation for N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide?
The canonical SMILES for N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide is Cc1ccc(NC(=O)c2cc(C3CC3)cnn2)cc1-c1cc(NCCO)nc(-c2ccnc(NC(=O)C3CC3)c2)n1.
What is the InChIKey of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide?
The InChIKey is BPRLNGIKAFCUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N8O3/c1-17-2-7-22(34-30(41)25-12-21(16-33-38-25)18-3-4-18)14-23(17)24-15-27(32-10-11-39)36-28(35-24)20-8-9-31-26(13-20)37-29(40)19-5-6-19/h2,7-9,12-16,18-19,39H,3-6,10-11H2,1H3,(H,34,41)(H,31,37,40)(H,32,35,36).
What are the key properties of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide?
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide has a molecular weight of 550.62 g/mol, XLogP of 4.19, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide is sourced from PubChem (CID 176572579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).