N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)pyridine-2-carboxamide

C14H19N3O — CID 114096816

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)NCC2(C3CC3)CC2)c1
InChIInChI=1S/C14H19N3O/c1-15-11-4-7-16-12(8-11)13(18)17-9-14(5-6-14)10-2-3-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,15,16)(H,17,18)
InChIKeyIWXOGEMFLYUKOH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.04
Rot. Bonds5

About N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)pyridine-2-carboxamide

N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)pyridine-2-carboxamide (PubChem CID 114096816) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)pyridine-2-carboxamide
PubChem CID114096816
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)NCC2(C3CC3)CC2)c1
InChIInChI=1S/C14H19N3O/c1-15-11-4-7-16-12(8-11)13(18)17-9-14(5-6-14)10-2-3-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,15,16)(H,17,18)
InChIKeyIWXOGEMFLYUKOH-UHFFFAOYSA-N
XLogP2.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid
CID 122056076
N-(cyclohexylmethyl)-4-(methylamino)pyridine-2-carboxamide
CID 62169507
4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide
CID 62178459
4-(methylamino)-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 55042259
N-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide
CID 62177424
4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 55046845
(4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 62930528
N-(3,5-dimethylcyclohexyl)-4-(methylamino)pyridine-2-carboxamide
CID 64733335
N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxamide
CID 115360776
4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 62181098
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62175967
N-[2-(dimethylsulfamoyl)ethyl]-4-(methylamino)pyridine-2-carboxamide
CID 106342692

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)pyridine-2-carboxamide (CID 114096816) is N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)pyridine-2-carboxamide is CNc1ccnc(C(=O)NCC2(C3CC3)CC2)c1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)pyridine-2-carboxamide?
The InChIKey is IWXOGEMFLYUKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-15-11-4-7-16-12(8-11)13(18)17-9-14(5-6-14)10-2-3-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)pyridine-2-carboxamide?
N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)pyridine-2-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 114096816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).