N-methyl-1-pyrimidin-5-ylcyclopentane-1-carboxamide;molecular hydrogen

C11H17N3O — CID 170579042

IUPACN-methyl-1-pyrimidin-5-ylcyclopentane-1-carboxamide;molecular hydrogen
SMILESCNC(=O)C1(c2cncnc2)CCCC1.[H][H]
InChIInChI=1S/C11H15N3O.H2/c1-12-10(15)11(4-2-3-5-11)9-6-13-8-14-7-9;/h6-8H,2-5H2,1H3,(H,12,15);1H
InChIKeyMCIJJTAPXGMEPQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.28
Rot. Bonds2

About N-methyl-1-pyrimidin-5-ylcyclopentane-1-carboxamide;molecular hydrogen

N-methyl-1-pyrimidin-5-ylcyclopentane-1-carboxamide;molecular hydrogen (PubChem CID 170579042) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-methyl-1-pyrimidin-5-ylcyclopentane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-1-pyrimidin-5-ylcyclopentane-1-carboxamide;molecular hydrogen
PubChem CID170579042
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-methyl-1-pyrimidin-5-ylcyclopentane-1-carboxamide;molecular hydrogen
SMILESCNC(=O)C1(c2cncnc2)CCCC1.[H][H]
InChIInChI=1S/C11H15N3O.H2/c1-12-10(15)11(4-2-3-5-11)9-6-13-8-14-7-9;/h6-8H,2-5H2,1H3,(H,12,15);1H
InChIKeyMCIJJTAPXGMEPQ-UHFFFAOYSA-N
XLogP1.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121496267
1-pyrimidin-5-ylcyclopentan-1-ol
CID 14434910
N,1-dimethyl-4-pyridin-4-ylpiperidine-4-carboxamide
CID 23377563
(1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone
CID 103450168
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
5-(1-methylcyclopropyl)pyrimidine
CID 134554594
1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide
CID 107588384
1-(3-benzyl-1,2-oxazol-5-yl)-N-methylcyclohexane-1-carboxamide
CID 172693263
N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 110466935
methyl 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 116963934
1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide
CID 115037910
1-(3-methylimidazol-4-yl)cyclopentane-1-carboxylic acid
CID 82401114

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrimidin-5-ylcyclopentane-1-carboxamide;molecular hydrogen?
The IUPAC name of N-methyl-1-pyrimidin-5-ylcyclopentane-1-carboxamide;molecular hydrogen (CID 170579042) is N-methyl-1-pyrimidin-5-ylcyclopentane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-methyl-1-pyrimidin-5-ylcyclopentane-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-methyl-1-pyrimidin-5-ylcyclopentane-1-carboxamide;molecular hydrogen is CNC(=O)C1(c2cncnc2)CCCC1.[H][H].
What is the InChIKey of N-methyl-1-pyrimidin-5-ylcyclopentane-1-carboxamide;molecular hydrogen?
The InChIKey is MCIJJTAPXGMEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.H2/c1-12-10(15)11(4-2-3-5-11)9-6-13-8-14-7-9;/h6-8H,2-5H2,1H3,(H,12,15);1H.
What are the key properties of N-methyl-1-pyrimidin-5-ylcyclopentane-1-carboxamide;molecular hydrogen?
N-methyl-1-pyrimidin-5-ylcyclopentane-1-carboxamide;molecular hydrogen has a molecular weight of 207.28 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrimidin-5-ylcyclopentane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 170579042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).