N-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C12H14ClN5O — CID 87187786

IUPACN-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc(Cl)nc2[nH]ccc12)C1CCNCC1
InChIInChI=1S/C12H14ClN5O/c13-12-17-9-8(3-6-15-9)10(18-12)16-11(19)7-1-4-14-5-2-7/h3,6-7,14H,1-2,4-5H2,(H2,15,16,17,18,19)
InChIKeyUCFHPJKFCXNBGZ-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.55
Rot. Bonds2

About N-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

N-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 87187786) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is N-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID87187786
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC NameN-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc(Cl)nc2[nH]ccc12)C1CCNCC1
InChIInChI=1S/C12H14ClN5O/c13-12-17-9-8(3-6-15-9)10(18-12)16-11(19)7-1-4-14-5-2-7/h3,6-7,14H,1-2,4-5H2,(H2,15,16,17,18,19)
InChIKeyUCFHPJKFCXNBGZ-UHFFFAOYSA-N
XLogP1.55
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide
CID 142787332
benzene-1,3-dicarboxylic acid;N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 174792429
3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylic acid
CID 175145150
(3R)-3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylic acid
CID 175145149
N-(5-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide
CID 110471863
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272
N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 22690147
N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022
3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-methylpiperidine-1-carboxylic acid
CID 118115660
N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 54862779
N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 60926898
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
CID 60928604

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 87187786) is N-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is O=C(Nc1nc(Cl)nc2[nH]ccc12)C1CCNCC1.
What is the InChIKey of N-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is UCFHPJKFCXNBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c13-12-17-9-8(3-6-15-9)10(18-12)16-11(19)7-1-4-14-5-2-7/h3,6-7,14H,1-2,4-5H2,(H2,15,16,17,18,19).
What are the key properties of N-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 87187786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).