N-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide

C27H31N5O — CID 168928807

IUPACN-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCc1ccc(N2CCC(C(C)C)C2)cc1-c1cncc(-c2cc(NC(=O)C3CC3)ncn2)c1
InChIInChI=1S/C27H31N5O/c1-17(2)20-8-9-32(15-20)23-7-4-18(3)24(11-23)21-10-22(14-28-13-21)25-12-26(30-16-29-25)31-27(33)19-5-6-19/h4,7,10-14,16-17,19-20H,5-6,8-9,15H2,1-3H3,(H,29,30,31,33)
InChIKeyNKNJOXYXFJTZSA-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.34
Rot. Bonds6

About N-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 168928807) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID168928807
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC NameN-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCc1ccc(N2CCC(C(C)C)C2)cc1-c1cncc(-c2cc(NC(=O)C3CC3)ncn2)c1
InChIInChI=1S/C27H31N5O/c1-17(2)20-8-9-32(15-20)23-7-4-18(3)24(11-23)21-10-22(14-28-13-21)25-12-26(30-16-29-25)31-27(33)19-5-6-19/h4,7,10-14,16-17,19-20H,5-6,8-9,15H2,1-3H3,(H,29,30,31,33)
InChIKeyNKNJOXYXFJTZSA-UHFFFAOYSA-N
XLogP5.34
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

formamide;N-methylmethanamine;6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidine-4-carbaldehyde
CID 168928522
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
CID 168930595
N-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 168930075
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 168928461
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide
CID 176572429
6-[5-[5-(5-azaspiro[2.4]heptan-5-yl)-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidin-4-amine;cyclopropanecarbaldehyde;formamide
CID 168928682
N-[3-[3-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]phenyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930177
N-[3-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 176572342
3-(2-cyanopropan-2-yl)-N-[3-[3-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]phenyl]-4-methylphenyl]benzamide
CID 168930509
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide
CID 176572347
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 176572432

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide (CID 168928807) is N-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide is Cc1ccc(N2CCC(C(C)C)C2)cc1-c1cncc(-c2cc(NC(=O)C3CC3)ncn2)c1.
What is the InChIKey of N-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is NKNJOXYXFJTZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O/c1-17(2)20-8-9-32(15-20)23-7-4-18(3)24(11-23)21-10-22(14-28-13-21)25-12-26(30-16-29-25)31-27(33)19-5-6-19/h4,7,10-14,16-17,19-20H,5-6,8-9,15H2,1-3H3,(H,29,30,31,33).
What are the key properties of N-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide?
N-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 441.58 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 168928807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).