N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide

C21H25N3O — CID 129261123

IUPACN-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1N1CCC[C@H]1C
InChIInChI=1S/C21H25N3O/c1-14-12-17(7-8-19(14)24-11-3-4-15(24)2)18-9-10-22-20(13-18)23-21(25)16-5-6-16/h7-10,12-13,15-16H,3-6,11H2,1-2H3,(H,22,23,25)/t15-/m1/s1
InChIKeyQYDBWCGZHQGLJF-OAHLLOKOSA-N
MW335.45 g/mol
LogP4.39
Rot. Bonds4

About N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 129261123) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID129261123
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1N1CCC[C@H]1C
InChIInChI=1S/C21H25N3O/c1-14-12-17(7-8-19(14)24-11-3-4-15(24)2)18-9-10-22-20(13-18)23-21(25)16-5-6-16/h7-10,12-13,15-16H,3-6,11H2,1-2H3,(H,22,23,25)/t15-/m1/s1
InChIKeyQYDBWCGZHQGLJF-OAHLLOKOSA-N
XLogP4.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 155288152
1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid
CID 155288407
N-[4-(5-cyclopropyl-2-methyl-1H-imidazol-4-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 155562118
N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 102674384
1-tert-butyl-N-[[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-2-methylphenyl]methyl]pyrazole-3-carboxamide
CID 155288086
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 155288307
3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]benzonitrile
CID 93392703
N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 167679607
N-(2,4-dimethyl-3-pyridinyl)cyclopropanecarboxamide
CID 130527162
N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide
CID 99968968
N-(4-bromo-2-pyridinyl)cyclopentanecarboxamide
CID 102674366

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide (CID 129261123) is N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide is Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1N1CCC[C@H]1C.
What is the InChIKey of N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is QYDBWCGZHQGLJF-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25N3O/c1-14-12-17(7-8-19(14)24-11-3-4-15(24)2)18-9-10-22-20(13-18)23-21(25)16-5-6-16/h7-10,12-13,15-16H,3-6,11H2,1-2H3,(H,22,23,25)/t15-/m1/s1.
What are the key properties of N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 335.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 129261123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).