N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide

C13H18N2O — CID 170671139

IUPACN-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)c1cccnc1C(=O)NCC1CC1
InChIInChI=1S/C13H18N2O/c1-9(2)11-4-3-7-14-12(11)13(16)15-8-10-5-6-10/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyBGJUYJWWFRJZNT-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.34
Rot. Bonds4

About N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide

N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide (PubChem CID 170671139) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide
PubChem CID170671139
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)c1cccnc1C(=O)NCC1CC1
InChIInChI=1S/C13H18N2O/c1-9(2)11-4-3-7-14-12(11)13(16)15-8-10-5-6-10/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyBGJUYJWWFRJZNT-UHFFFAOYSA-N
XLogP2.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
ethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
CID 142144655
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 107522403
N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107520618
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 134434405
2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63616085
3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 143144334
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
2-(cyclopropylmethoxy)-3-propan-2-ylpyridine
CID 164786458
3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide
CID 107518869
N-[(4-aminocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 106124683
3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 95226078

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide (CID 170671139) is N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide is CC(C)c1cccnc1C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide?
The InChIKey is BGJUYJWWFRJZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)11-4-3-7-14-12(11)13(16)15-8-10-5-6-10/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide?
N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 170671139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).