1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide

C15H20ClN5O2 — CID 56797170

IUPAC1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2nc(N3CCCCC3)ncc2Cl)C1
InChIInChI=1S/C15H20ClN5O2/c16-11-8-18-15(20-5-2-1-3-6-20)19-12(11)14(23)21-7-4-10(9-21)13(17)22/h8,10H,1-7,9H2,(H2,17,22)
InChIKeyLNVHHJOAYRRVJG-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.07
Rot. Bonds3

About 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide

1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 56797170) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide
PubChem CID56797170
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC Name1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2nc(N3CCCCC3)ncc2Cl)C1
InChIInChI=1S/C15H20ClN5O2/c16-11-8-18-15(20-5-2-1-3-6-20)19-12(11)14(23)21-7-4-10(9-21)13(17)22/h8,10H,1-7,9H2,(H2,17,22)
InChIKeyLNVHHJOAYRRVJG-UHFFFAOYSA-N
XLogP1.07
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide
CID 62088855
2-[(2S)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholin-2-yl]acetic acid
CID 125153278
5-chloro-N-cycloheptyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 51116278
2-(azetidin-1-yl)-5-chloropyrimidine-4-carboxylic acid
CID 84679906
N-[[(3R)-1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)piperidin-3-yl]methyl]propane-2-sulfonamide
CID 52539420
2-[4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890839
1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 60506834
5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47045712
(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone
CID 94468049
(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 87001091
(3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid
CID 125152988
1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid
CID 62087401

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide (CID 56797170) is 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(C(=O)c2nc(N3CCCCC3)ncc2Cl)C1.
What is the InChIKey of 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is LNVHHJOAYRRVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O2/c16-11-8-18-15(20-5-2-1-3-6-20)19-12(11)14(23)21-7-4-10(9-21)13(17)22/h8,10H,1-7,9H2,(H2,17,22).
What are the key properties of 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide?
1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 56797170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).