N-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide

C19H25N5O2 — CID 137030010

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC1CCCCC1CN
InChIInChI=1S/C19H25N5O2/c1-12-15(9-17(25)23-16-7-3-2-5-13(16)10-20)19(26)24-18(22-12)14-6-4-8-21-11-14/h4,6,8,11,13,16H,2-3,5,7,9-10,20H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyCCNNLOKAOOFJKO-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.32
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide

N-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide (PubChem CID 137030010) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
PubChem CID137030010
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC1CCCCC1CN
InChIInChI=1S/C19H25N5O2/c1-12-15(9-17(25)23-16-7-3-2-5-13(16)10-20)19(26)24-18(22-12)14-6-4-8-21-11-14/h4,6,8,11,13,16H,2-3,5,7,9-10,20H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyCCNNLOKAOOFJKO-UHFFFAOYSA-N
XLogP1.32
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 137095588
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide
CID 136793208
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride
CID 137081429
4-[[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]amino]thiane-4-carboxylic acid
CID 137059031
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide
CID 137127027
2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-(2-methylpiperidin-3-yl)acetamide
CID 137159316
(3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid
CID 137147714
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide
CID 154806851
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)acetamide;dihydrochloride
CID 137086212
N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide
CID 81483186
3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[(3R)-2-methylpentan-3-yl]propanamide
CID 136877410
(2R)-3-methyl-2-[3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanoylamino]butanoic acid
CID 136942120

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide (CID 137030010) is N-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide is Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide?
The InChIKey is CCNNLOKAOOFJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12-15(9-17(25)23-16-7-3-2-5-13(16)10-20)19(26)24-18(22-12)14-6-4-8-21-11-14/h4,6,8,11,13,16H,2-3,5,7,9-10,20H2,1H3,(H,23,25)(H,22,24,26).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide?
N-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 137030010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).