5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C16H18ClN5O — CID 94172656

IUPAC5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1cccnc1
InChIInChI=1S/C16H18ClN5O/c1-11(12-5-4-6-18-9-12)20-15(23)14-13(17)10-19-16(21-14)22-7-2-3-8-22/h4-6,9-11H,2-3,7-8H2,1H3,(H,20,23)/t11-/m1/s1
InChIKeyRNAAXWYNTDHYMF-LLVKDONJSA-N
MW331.81 g/mol
LogP2.62
Rot. Bonds4

About 5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 94172656) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID94172656
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1cccnc1
InChIInChI=1S/C16H18ClN5O/c1-11(12-5-4-6-18-9-12)20-15(23)14-13(17)10-19-16(21-14)22-7-2-3-8-22/h4-6,9-11H,2-3,7-8H2,1H3,(H,20,23)/t11-/m1/s1
InChIKeyRNAAXWYNTDHYMF-LLVKDONJSA-N
XLogP2.62
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[1-(2,3-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 86968037
(2R,3S)-3-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 124697860
4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 95096725
5-chloro-N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 166201990
4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162991
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 54861340
N-[(S)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 51589039
N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 51589038
2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 114917283
5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 51958351
4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 51495772
2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 23548275

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 94172656) is 5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is C[C@@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1cccnc1.
What is the InChIKey of 5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is RNAAXWYNTDHYMF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18ClN5O/c1-11(12-5-4-6-18-9-12)20-15(23)14-13(17)10-19-16(21-14)22-7-2-3-8-22/h4-6,9-11H,2-3,7-8H2,1H3,(H,20,23)/t11-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 331.81 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 94172656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).