4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide

C16H19ClN6O — CID 146112059

IUPAC4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)nc(N2CC[C@@H](Nc3ccc(Cl)cn3)C2)c1C
InChIInChI=1S/C16H19ClN6O/c1-9-10(2)20-15(14(18)24)22-16(9)23-6-5-12(8-23)21-13-4-3-11(17)7-19-13/h3-4,7,12H,5-6,8H2,1-2H3,(H2,18,24)(H,19,21)/t12-/m1/s1
InChIKeyAHTUHSUMEKSDDK-GFCCVEGCSA-N
MW346.82 g/mol
LogP1.93
Rot. Bonds4

About 4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide

4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide (PubChem CID 146112059) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
PubChem CID146112059
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)nc(N2CC[C@@H](Nc3ccc(Cl)cn3)C2)c1C
InChIInChI=1S/C16H19ClN6O/c1-9-10(2)20-15(14(18)24)22-16(9)23-6-5-12(8-23)21-13-4-3-11(17)7-19-13/h3-4,7,12H,5-6,8H2,1-2H3,(H2,18,24)(H,19,21)/t12-/m1/s1
InChIKeyAHTUHSUMEKSDDK-GFCCVEGCSA-N
XLogP1.93
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide with MolForge

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Related Compounds

4-[(3R)-3-[(5,6-dimethylpyrazin-2-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 167755351
4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146153731
4-[(3R)-3-[(3,5-difluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146112391
4-[(3R)-3-[(2-fluoro-3-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 154794650
4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146112247
4-[(3R)-3-[(6-cyano-5-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112144
4-[(3R)-3-[1-(3-ethyl-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146153772
4,5-dimethyl-6-[(3R)-3-(3-phenylprop-2-enylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 154799070
4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 167881779
4-[(3R)-3-(isoquinolin-6-ylmethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 167790200
4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146111667
(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 175114110

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide (CID 146112059) is 4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide is Cc1nc(C(N)=O)nc(N2CC[C@@H](Nc3ccc(Cl)cn3)C2)c1C.
What is the InChIKey of 4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide?
The InChIKey is AHTUHSUMEKSDDK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19ClN6O/c1-9-10(2)20-15(14(18)24)22-16(9)23-6-5-12(8-23)21-13-4-3-11(17)7-19-13/h3-4,7,12H,5-6,8H2,1-2H3,(H2,18,24)(H,19,21)/t12-/m1/s1.
What are the key properties of 4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide?
4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146112059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).