5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C18H22ClN7O — CID 55802714

IUPAC5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C18H22ClN7O/c19-14-11-22-18(25-8-1-2-9-25)24-15(14)16(27)23-13-5-3-10-26(12-13)17-20-6-4-7-21-17/h4,6-7,11,13H,1-3,5,8-10,12H2,(H,23,27)
InChIKeyZWVKZEVLPNZUNS-UHFFFAOYSA-N
MW387.88 g/mol
LogP1.92
Rot. Bonds4

About 5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 55802714) has the molecular formula C18H22ClN7O and a molecular weight of 387.88 g/mol. Its IUPAC name is 5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID55802714
Molecular FormulaC18H22ClN7O
Molecular Weight387.88 g/mol
Exact Mass387.16
IUPAC Name5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C18H22ClN7O/c19-14-11-22-18(25-8-1-2-9-25)24-15(14)16(27)23-13-5-3-10-26(12-13)17-20-6-4-7-21-17/h4,6-7,11,13H,1-3,5,8-10,12H2,(H,23,27)
InChIKeyZWVKZEVLPNZUNS-UHFFFAOYSA-N
XLogP1.92
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.88
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
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5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide
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CID 95580335
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 55802714) is 5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is O=C(NC1CCCN(c2ncccn2)C1)c1nc(N2CCCC2)ncc1Cl.
What is the InChIKey of 5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is ZWVKZEVLPNZUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN7O/c19-14-11-22-18(25-8-1-2-9-25)24-15(14)16(27)23-13-5-3-10-26(12-13)17-20-6-4-7-21-17/h4,6-7,11,13H,1-3,5,8-10,12H2,(H,23,27).
What are the key properties of 5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 387.88 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 55802714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).