N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide

C29H26N6O2 — CID 176572347

IUPACN-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C3CC3)cnn2)cc1-c1ccnc(-c2ccnc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C29H26N6O2/c1-17-2-7-23(33-29(37)26-13-22(16-32-35-26)18-3-4-18)15-24(17)20-8-10-30-25(12-20)21-9-11-31-27(14-21)34-28(36)19-5-6-19/h2,7-16,18-19H,3-6H2,1H3,(H,33,37)(H,31,34,36)
InChIKeyWDPFHYIKKIOUBW-UHFFFAOYSA-N
MW490.57 g/mol
LogP5.39
Rot. Bonds7

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

N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide (PubChem CID 176572347) has the molecular formula C29H26N6O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide
PubChem CID176572347
Molecular FormulaC29H26N6O2
Molecular Weight490.57 g/mol
Exact Mass490.21
IUPAC NameN-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C3CC3)cnn2)cc1-c1ccnc(-c2ccnc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C29H26N6O2/c1-17-2-7-23(33-29(37)26-13-22(16-32-35-26)18-3-4-18)15-24(17)20-8-10-30-25(12-20)21-9-11-31-27(14-21)34-28(36)19-5-6-19/h2,7-16,18-19H,3-6H2,1H3,(H,33,37)(H,31,34,36)
InChIKeyWDPFHYIKKIOUBW-UHFFFAOYSA-N
XLogP5.39
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide
CID 176572579
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 176572432
N-[3-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyridazin-3-yl]-4-methylphenyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 169024658
N-[4-methyl-3-[2-[2-[(1-methylcyclobutanecarbonyl)amino]-4-pyridinyl]-4-pyridinyl]phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176572492
4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
CID 176565447
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-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 176572342
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 168930367
N-[3-[3-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]phenyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930177
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-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
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]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide?
The IUPAC name of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide (CID 176572347) is N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide.
What is the SMILES notation for N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide?
The canonical SMILES for N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide is Cc1ccc(NC(=O)c2cc(C3CC3)cnn2)cc1-c1ccnc(-c2ccnc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide?
The InChIKey is WDPFHYIKKIOUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O2/c1-17-2-7-23(33-29(37)26-13-22(16-32-35-26)18-3-4-18)15-24(17)20-8-10-30-25(12-20)21-9-11-31-27(14-21)34-28(36)19-5-6-19/h2,7-16,18-19H,3-6H2,1H3,(H,33,37)(H,31,34,36).
What are the key properties of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide?
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide is sourced from PubChem (CID 176572347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).