N-[(1S,2S)-2-[(3,5-dimethylpyrazin-2-yl)amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide

C21H23N7O — CID 118317158

IUPACN-[(1S,2S)-2-[(3,5-dimethylpyrazin-2-yl)amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide
SMILESCc1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ncccc2-c2ncccn2)c(C)n1
InChIInChI=1S/C21H23N7O/c1-13-12-25-19(14(2)26-13)27-16-7-3-8-17(16)28-21(29)18-15(6-4-9-22-18)20-23-10-5-11-24-20/h4-6,9-12,16-17H,3,7-8H2,1-2H3,(H,25,27)(H,28,29)/t16-,17-/m0/s1
InChIKeyBNIKCCNEJCSUSR-IRXDYDNUSA-N
MW389.46 g/mol
LogP2.71
Rot. Bonds5

About N-[(1S,2S)-2-[(3,5-dimethylpyrazin-2-yl)amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide

N-[(1S,2S)-2-[(3,5-dimethylpyrazin-2-yl)amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide (PubChem CID 118317158) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(3,5-dimethylpyrazin-2-yl)amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[(3,5-dimethylpyrazin-2-yl)amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide
PubChem CID118317158
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN-[(1S,2S)-2-[(3,5-dimethylpyrazin-2-yl)amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide
SMILESCc1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ncccc2-c2ncccn2)c(C)n1
InChIInChI=1S/C21H23N7O/c1-13-12-25-19(14(2)26-13)27-16-7-3-8-17(16)28-21(29)18-15(6-4-9-22-18)20-23-10-5-11-24-20/h4-6,9-12,16-17H,3,7-8H2,1-2H3,(H,25,27)(H,28,29)/t16-,17-/m0/s1
InChIKeyBNIKCCNEJCSUSR-IRXDYDNUSA-N
XLogP2.71
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[(3,5-dimethylpyrazin-2-yl)amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-[(3,5-dimethylpyrazin-2-yl)amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide (CID 118317158) is N-[(1S,2S)-2-[(3,5-dimethylpyrazin-2-yl)amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-[(3,5-dimethylpyrazin-2-yl)amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-[(3,5-dimethylpyrazin-2-yl)amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide is Cc1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ncccc2-c2ncccn2)c(C)n1.
What is the InChIKey of N-[(1S,2S)-2-[(3,5-dimethylpyrazin-2-yl)amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide?
The InChIKey is BNIKCCNEJCSUSR-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H23N7O/c1-13-12-25-19(14(2)26-13)27-16-7-3-8-17(16)28-21(29)18-15(6-4-9-22-18)20-23-10-5-11-24-20/h4-6,9-12,16-17H,3,7-8H2,1-2H3,(H,25,27)(H,28,29)/t16-,17-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[(3,5-dimethylpyrazin-2-yl)amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide?
N-[(1S,2S)-2-[(3,5-dimethylpyrazin-2-yl)amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[(3,5-dimethylpyrazin-2-yl)amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 118317158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).