N-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide

C10H13ClN4O — CID 102780141

IUPACN-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C10H13ClN4O/c1-6-2-4-12-8(6)9(16)14-7-3-5-13-10(11)15-7/h3,5-6,8,12H,2,4H2,1H3,(H,13,14,15,16)
InChIKeyZTIICTKMQZASOY-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.07
Rot. Bonds2

About N-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide

N-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102780141) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102780141
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC NameN-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C10H13ClN4O/c1-6-2-4-12-8(6)9(16)14-7-3-5-13-10(11)15-7/h3,5-6,8,12H,2,4H2,1H3,(H,13,14,15,16)
InChIKeyZTIICTKMQZASOY-UHFFFAOYSA-N
XLogP1.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 116798469
N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779613
3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 107067167
3-amino-N-(2-chloropyrimidin-4-yl)cyclopentane-1-carboxamide
CID 116795102
N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide
CID 116795126
3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 102779438
3-methyl-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 102779456
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 102780018
3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide
CID 102779885
N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779794
2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 102779763
2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779465

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide (CID 102780141) is N-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is ZTIICTKMQZASOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-6-2-4-12-8(6)9(16)14-7-3-5-13-10(11)15-7/h3,5-6,8,12H,2,4H2,1H3,(H,13,14,15,16).
What are the key properties of N-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide?
N-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 240.69 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102780141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).