(2S)-N-(5,6-dichloropyrimidin-4-yl)piperidine-2-carboxamide

C10H12Cl2N4O — CID 114049507

IUPAC(2S)-N-(5,6-dichloropyrimidin-4-yl)piperidine-2-carboxamide
SMILESO=C(Nc1ncnc(Cl)c1Cl)[C@@H]1CCCCN1
InChIInChI=1S/C10H12Cl2N4O/c11-7-8(12)14-5-15-9(7)16-10(17)6-3-1-2-4-13-6/h5-6,13H,1-4H2,(H,14,15,16,17)/t6-/m0/s1
InChIKeyVOMZQTFWFHHRKD-LURJTMIESA-N
MW275.14 g/mol
LogP1.86
Rot. Bonds2

About (2S)-N-(5,6-dichloropyrimidin-4-yl)piperidine-2-carboxamide

(2S)-N-(5,6-dichloropyrimidin-4-yl)piperidine-2-carboxamide (PubChem CID 114049507) has the molecular formula C10H12Cl2N4O and a molecular weight of 275.14 g/mol. Its IUPAC name is (2S)-N-(5,6-dichloropyrimidin-4-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5,6-dichloropyrimidin-4-yl)piperidine-2-carboxamide
PubChem CID114049507
Molecular FormulaC10H12Cl2N4O
Molecular Weight275.14 g/mol
Exact Mass274.04
IUPAC Name(2S)-N-(5,6-dichloropyrimidin-4-yl)piperidine-2-carboxamide
SMILESO=C(Nc1ncnc(Cl)c1Cl)[C@@H]1CCCCN1
InChIInChI=1S/C10H12Cl2N4O/c11-7-8(12)14-5-15-9(7)16-10(17)6-3-1-2-4-13-6/h5-6,13H,1-4H2,(H,14,15,16,17)/t6-/m0/s1
InChIKeyVOMZQTFWFHHRKD-LURJTMIESA-N
XLogP1.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-methyl-1,3-oxazol-4-yl)piperidine-2-carboxamide
CID 141479991
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide
CID 114050143
N-(2,3-dichlorophenyl)azepane-2-carboxamide
CID 64563193
(2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide
CID 28993479
(2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide
CID 104914702
(2S)-N-pyridin-2-ylpiperidine-2-carboxamide
CID 103813189
(2R)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide
CID 103809385
(2S)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide
CID 103809386
N-(6-chloroquinolin-8-yl)piperidine-2-carboxamide
CID 43698576
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 45116189

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5,6-dichloropyrimidin-4-yl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(5,6-dichloropyrimidin-4-yl)piperidine-2-carboxamide (CID 114049507) is (2S)-N-(5,6-dichloropyrimidin-4-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5,6-dichloropyrimidin-4-yl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5,6-dichloropyrimidin-4-yl)piperidine-2-carboxamide is O=C(Nc1ncnc(Cl)c1Cl)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(5,6-dichloropyrimidin-4-yl)piperidine-2-carboxamide?
The InChIKey is VOMZQTFWFHHRKD-LURJTMIESA-N. The full InChI is InChI=1S/C10H12Cl2N4O/c11-7-8(12)14-5-15-9(7)16-10(17)6-3-1-2-4-13-6/h5-6,13H,1-4H2,(H,14,15,16,17)/t6-/m0/s1.
What are the key properties of (2S)-N-(5,6-dichloropyrimidin-4-yl)piperidine-2-carboxamide?
(2S)-N-(5,6-dichloropyrimidin-4-yl)piperidine-2-carboxamide has a molecular weight of 275.14 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5,6-dichloropyrimidin-4-yl)piperidine-2-carboxamide is sourced from PubChem (CID 114049507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).