N-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide

C19H20N4O — CID 125137451

IUPACN-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCc1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C#N
InChIInChI=1S/C19H20N4O/c1-12-9-10-21-18(17(12)11-20)22-13(2)14-5-7-16(8-6-14)23-19(24)15-3-4-15/h5-10,13,15H,3-4H2,1-2H3,(H,21,22)(H,23,24)/t13-/m0/s1
InChIKeyBHVJQSXOWGBXQN-ZDUSSCGKSA-N
MW320.40 g/mol
LogP3.78
Rot. Bonds5

About N-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 125137451) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID125137451
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCc1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C#N
InChIInChI=1S/C19H20N4O/c1-12-9-10-21-18(17(12)11-20)22-13(2)14-5-7-16(8-6-14)23-19(24)15-3-4-15/h5-10,13,15H,3-4H2,1-2H3,(H,21,22)(H,23,24)/t13-/m0/s1
InChIKeyBHVJQSXOWGBXQN-ZDUSSCGKSA-N
XLogP3.78
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 113412171
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43056682
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021122
N-[4-[1-[[2-(4-cyanophenyl)sulfanylacetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 60518059
N-(2,4-dimethyl-3-pyridinyl)cyclopropanecarboxamide
CID 130527162
N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 60971782
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94148286
N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595082

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide (CID 125137451) is N-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide is Cc1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C#N.
What is the InChIKey of N-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is BHVJQSXOWGBXQN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12-9-10-21-18(17(12)11-20)22-13(2)14-5-7-16(8-6-14)23-19(24)15-3-4-15/h5-10,13,15H,3-4H2,1-2H3,(H,21,22)(H,23,24)/t13-/m0/s1.
What are the key properties of N-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 125137451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).