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

C29H27FN6O2 — CID 176572429

IUPACN-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(C(C)(C)F)c2)cc1-c1cncc(-c2cc(NC(=O)C3CC3)ncn2)c1
InChIInChI=1S/C29H27FN6O2/c1-17-4-7-23(35-28(38)21-9-22(15-32-14-21)29(2,3)30)10-24(17)19-8-20(13-31-12-19)25-11-26(34-16-33-25)36-27(37)18-5-6-18/h4,7-16,18H,5-6H2,1-3H3,(H,35,38)(H,33,34,36,37)
InChIKeyXXKNWOWLRBYMLR-UHFFFAOYSA-N
MW510.57 g/mol
LogP5.71
Rot. Bonds7

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

N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide (PubChem CID 176572429) has the molecular formula C29H27FN6O2 and a molecular weight of 510.57 g/mol. Its IUPAC name is N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide
PubChem CID176572429
Molecular FormulaC29H27FN6O2
Molecular Weight510.57 g/mol
Exact Mass510.22
IUPAC NameN-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(C(C)(C)F)c2)cc1-c1cncc(-c2cc(NC(=O)C3CC3)ncn2)c1
InChIInChI=1S/C29H27FN6O2/c1-17-4-7-23(35-28(38)21-9-22(15-32-14-21)29(2,3)30)10-24(17)19-8-20(13-31-12-19)25-11-26(34-16-33-25)36-27(37)18-5-6-18/h4,7-16,18H,5-6H2,1-3H3,(H,35,38)(H,33,34,36,37)
InChIKeyXXKNWOWLRBYMLR-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

N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
CID 168930595
N-[3-[3-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]phenyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930177
3-(2-cyanopropan-2-yl)-N-[3-[3-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]phenyl]-4-methylphenyl]benzamide
CID 168930509
methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate
CID 176572423
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-azaspiro[2.4]heptane-5-carboxamide
CID 168928461
N-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 168930075
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 176572432
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 168930367
6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
CID 168930025
N-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 168928807
methyl N-[6-[5-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate
CID 168929287

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide (CID 176572429) is N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(C(C)(C)F)c2)cc1-c1cncc(-c2cc(NC(=O)C3CC3)ncn2)c1.
What is the InChIKey of N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide?
The InChIKey is XXKNWOWLRBYMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6O2/c1-17-4-7-23(35-28(38)21-9-22(15-32-14-21)29(2,3)30)10-24(17)19-8-20(13-31-12-19)25-11-26(34-16-33-25)36-27(37)18-5-6-18/h4,7-16,18H,5-6H2,1-3H3,(H,35,38)(H,33,34,36,37).
What are the key properties of N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide?
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-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-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 176572429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).