4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide

C13H18N4O — CID 43599108

IUPAC4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NC2C3CNCC32)ccn1
InChIInChI=1S/C13H18N4O/c1-2-15-13(18)11-5-8(3-4-16-11)17-12-9-6-14-7-10(9)12/h3-5,9-10,12,14H,2,6-7H2,1H3,(H,15,18)(H,16,17)
InChIKeyNIHKAXUWQYKWPI-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.46
Rot. Bonds4

About 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide

4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide (PubChem CID 43599108) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide
PubChem CID43599108
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NC2C3CNCC32)ccn1
InChIInChI=1S/C13H18N4O/c1-2-15-13(18)11-5-8(3-4-16-11)17-12-9-6-14-7-10(9)12/h3-5,9-10,12,14H,2,6-7H2,1H3,(H,15,18)(H,16,17)
InChIKeyNIHKAXUWQYKWPI-UHFFFAOYSA-N
XLogP0.46
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906
N-ethyl-4-[(2-methylpiperidin-3-yl)amino]pyridine-2-carboxamide
CID 114695697
N-ethyl-4-[(2-oxopiperidin-3-yl)amino]pyridine-2-carboxamide
CID 55033632
N-ethyl-4-[(2-methyloxolan-3-yl)amino]pyridine-2-carboxamide
CID 82728955
N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide
CID 66004621
2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 64816659
N-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide
CID 103704015
N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 55101029
4-[(2-amino-2-oxoethyl)amino]-N-ethylpyridine-2-carboxamide
CID 43517858
N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carboxamide
CID 79358278
4-(2-cyclopropylpropylamino)-N-ethylpyridine-2-carboxamide
CID 113234707

Frequently Asked Questions

What is the IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide (CID 43599108) is 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide is CCNC(=O)c1cc(NC2C3CNCC32)ccn1.
What is the InChIKey of 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide?
The InChIKey is NIHKAXUWQYKWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-15-13(18)11-5-8(3-4-16-11)17-12-9-6-14-7-10(9)12/h3-5,9-10,12,14H,2,6-7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide?
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 43599108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).