6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide

C17H23N5O4 — CID 162629069

IUPAC6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide
SMILESNc1cccc(C(=O)N[C@@H]2C[C@@H](C(=O)N3CCNC(=O)C3)CC[C@H]2O)n1
InChIInChI=1S/C17H23N5O4/c18-14-3-1-2-11(20-14)16(25)21-12-8-10(4-5-13(12)23)17(26)22-7-6-19-15(24)9-22/h1-3,10,12-13,23H,4-9H2,(H2,18,20)(H,19,24)(H,21,25)/t10-,12+,13+/m0/s1
InChIKeyZFQDHPMNPDHKDR-CYZMBNFOSA-N
MW361.40 g/mol
LogP-1.12
Rot. Bonds3

About 6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide

6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide (PubChem CID 162629069) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide
PubChem CID162629069
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide
SMILESNc1cccc(C(=O)N[C@@H]2C[C@@H](C(=O)N3CCNC(=O)C3)CC[C@H]2O)n1
InChIInChI=1S/C17H23N5O4/c18-14-3-1-2-11(20-14)16(25)21-12-8-10(4-5-13(12)23)17(26)22-7-6-19-15(24)9-22/h1-3,10,12-13,23H,4-9H2,(H2,18,20)(H,19,24)(H,21,25)/t10-,12+,13+/m0/s1
InChIKeyZFQDHPMNPDHKDR-CYZMBNFOSA-N
XLogP-1.12
TPSA137.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide (CID 162629069) is 6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide is Nc1cccc(C(=O)N[C@@H]2C[C@@H](C(=O)N3CCNC(=O)C3)CC[C@H]2O)n1.
What is the InChIKey of 6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide?
The InChIKey is ZFQDHPMNPDHKDR-CYZMBNFOSA-N. The full InChI is InChI=1S/C17H23N5O4/c18-14-3-1-2-11(20-14)16(25)21-12-8-10(4-5-13(12)23)17(26)22-7-6-19-15(24)9-22/h1-3,10,12-13,23H,4-9H2,(H2,18,20)(H,19,24)(H,21,25)/t10-,12+,13+/m0/s1.
What are the key properties of 6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide?
6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of -1.12, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 162629069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).