N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide

C16H17N3O — CID 113016079

IUPACN-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
SMILESCc1ccccc1Nc1ccc(NC(=O)C2CC2)cn1
InChIInChI=1S/C16H17N3O/c1-11-4-2-3-5-14(11)19-15-9-8-13(10-17-15)18-16(20)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyBKHPNUWFSLWWQU-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.48
Rot. Bonds4

About N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide

N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 113016079) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
PubChem CID113016079
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
SMILESCc1ccccc1Nc1ccc(NC(=O)C2CC2)cn1
InChIInChI=1S/C16H17N3O/c1-11-4-2-3-5-14(11)19-15-9-8-13(10-17-15)18-16(20)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyBKHPNUWFSLWWQU-UHFFFAOYSA-N
XLogP3.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate
CID 113022585
N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017402
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011542
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide
CID 113021701
N-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 56784483
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113021511
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017694
N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113022258
N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032896
N-[6-(2,3-dimethylanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113017251
N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113022700

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide (CID 113016079) is N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide is Cc1ccccc1Nc1ccc(NC(=O)C2CC2)cn1.
What is the InChIKey of N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is BKHPNUWFSLWWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-4-2-3-5-14(11)19-15-9-8-13(10-17-15)18-16(20)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide?
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 267.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 113016079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).