2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide

C18H19N5O — CID 47879783

IUPAC2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(CC(=O)N(Cc1ccccn1)C1CC1)c1ccc(C#N)cn1
InChIInChI=1S/C18H19N5O/c1-22(17-8-5-14(10-19)11-21-17)13-18(24)23(16-6-7-16)12-15-4-2-3-9-20-15/h2-5,8-9,11,16H,6-7,12-13H2,1H3
InChIKeyVIXHUZICPFLJTJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.98
Rot. Bonds6

About 2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide

2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 47879783) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID47879783
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(CC(=O)N(Cc1ccccn1)C1CC1)c1ccc(C#N)cn1
InChIInChI=1S/C18H19N5O/c1-22(17-8-5-14(10-19)11-21-17)13-18(24)23(16-6-7-16)12-15-4-2-3-9-20-15/h2-5,8-9,11,16H,6-7,12-13H2,1H3
InChIKeyVIXHUZICPFLJTJ-UHFFFAOYSA-N
XLogP1.98
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide
CID 55667773
ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
CID 60665020
6-[benzyl(methyl)amino]pyridine-3-carbonitrile
CID 24690148
2-amino-N-[2-[cyclopropyl(pyridin-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54869689
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide
CID 102555556
6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile
CID 47359929
N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129003838
4-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carbonyl]benzonitrile
CID 129343587
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56818310
2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 107904243
cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 94822499

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide (CID 47879783) is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide is CN(CC(=O)N(Cc1ccccn1)C1CC1)c1ccc(C#N)cn1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is VIXHUZICPFLJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-22(17-8-5-14(10-19)11-21-17)13-18(24)23(16-6-7-16)12-15-4-2-3-9-20-15/h2-5,8-9,11,16H,6-7,12-13H2,1H3.
What are the key properties of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide?
2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 47879783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).