N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

C29H27FN6O2 — CID 168930367

IUPACN-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1ccnc(-c2ccnc(NC(=O)C3CC3)c2)n1
InChIInChI=1S/C29H27FN6O2/c1-17-4-7-21(34-28(38)20-9-11-31-24(14-20)29(2,3)30)16-22(17)23-10-13-33-26(35-23)19-8-12-32-25(15-19)36-27(37)18-5-6-18/h4,7-16,18H,5-6H2,1-3H3,(H,34,38)(H,32,36,37)
InChIKeyXRCPHTHMKSZLRC-UHFFFAOYSA-N
MW510.57 g/mol
LogP5.71
Rot. Bonds7

About N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (PubChem CID 168930367) has the molecular formula C29H27FN6O2 and a molecular weight of 510.57 g/mol. Its IUPAC name is N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
PubChem CID168930367
Molecular FormulaC29H27FN6O2
Molecular Weight510.57 g/mol
Exact Mass510.22
IUPAC NameN-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1ccnc(-c2ccnc(NC(=O)C3CC3)c2)n1
InChIInChI=1S/C29H27FN6O2/c1-17-4-7-21(34-28(38)20-9-11-31-24(14-20)29(2,3)30)16-22(17)23-10-13-33-26(35-23)19-8-12-32-25(15-19)36-27(37)18-5-6-18/h4,7-16,18H,5-6H2,1-3H3,(H,34,38)(H,32,36,37)
InChIKeyXRCPHTHMKSZLRC-UHFFFAOYSA-N
XLogP5.71
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.57
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-cyanopropan-2-yl)-N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 168930124
methyl N-[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-methylpyrimidin-4-yl]-2-pyridinyl]carbamate
CID 168929736
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930438
N-[3-[3-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]phenyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930177
N-[3-[2-(2-acetamido-4-pyridinyl)pyrimidin-4-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 176572506
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 176572432
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-[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-2-yl]-4-methylphenyl]-2-(1-propylcyclopropyl)pyridine-4-carboxamide
CID 168930170
N-[3-[2-(2-amino-4-pyridinyl)pyrimidin-4-yl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 168930339
N-[3-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 176572342
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide
CID 176572429
4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide
CID 169024539

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (CID 168930367) is N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1ccnc(-c2ccnc(NC(=O)C3CC3)c2)n1.
What is the InChIKey of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The InChIKey is XRCPHTHMKSZLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6O2/c1-17-4-7-21(34-28(38)20-9-11-31-24(14-20)29(2,3)30)16-22(17)23-10-13-33-26(35-23)19-8-12-32-25(15-19)36-27(37)18-5-6-18/h4,7-16,18H,5-6H2,1-3H3,(H,34,38)(H,32,36,37).
What are the key properties of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide has a molecular weight of 510.57 g/mol, XLogP of 5.71, 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]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 168930367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).