N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid

C18H25N5O6 — CID 163340595

IUPACN-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid
SMILESNC(=O)C1CCN(C(=O)[C@H]2C[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)CC1.O=CO
InChIInChI=1S/C17H23N5O4.CH2O2/c18-15(24)10-1-5-22(6-2-10)17(26)11-7-12(14(23)8-11)21-16(25)13-9-19-3-4-20-13;2-1-3/h3-4,9-12,14,23H,1-2,5-8H2,(H2,18,24)(H,21,25);1H,(H,2,3)/t11-,12-,14-;/m0./s1
InChIKeyBWUFMBAKXPLHQA-RGESYUBESA-N
MW407.43 g/mol
LogP-1.23
Rot. Bonds4

About N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid

N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid (PubChem CID 163340595) has the molecular formula C18H25N5O6 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid.

Molecular Properties

Compound NameN-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid
PubChem CID163340595
Molecular FormulaC18H25N5O6
Molecular Weight407.43 g/mol
Exact Mass407.18
IUPAC NameN-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid
SMILESNC(=O)C1CCN(C(=O)[C@H]2C[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)CC1.O=CO
InChIInChI=1S/C17H23N5O4.CH2O2/c18-15(24)10-1-5-22(6-2-10)17(26)11-7-12(14(23)8-11)21-16(25)13-9-19-3-4-20-13;2-1-3/h3-4,9-12,14,23H,1-2,5-8H2,(H2,18,24)(H,21,25);1H,(H,2,3)/t11-,12-,14-;/m0./s1
InChIKeyBWUFMBAKXPLHQA-RGESYUBESA-N
XLogP-1.23
TPSA175.81 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid?
The IUPAC name of N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid (CID 163340595) is N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid.
What is the SMILES notation for N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid?
The canonical SMILES for N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid is NC(=O)C1CCN(C(=O)[C@H]2C[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)CC1.O=CO.
What is the InChIKey of N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid?
The InChIKey is BWUFMBAKXPLHQA-RGESYUBESA-N. The full InChI is InChI=1S/C17H23N5O4.CH2O2/c18-15(24)10-1-5-22(6-2-10)17(26)11-7-12(14(23)8-11)21-16(25)13-9-19-3-4-20-13;2-1-3/h3-4,9-12,14,23H,1-2,5-8H2,(H2,18,24)(H,21,25);1H,(H,2,3)/t11-,12-,14-;/m0./s1.
What are the key properties of N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid?
N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid has a molecular weight of 407.43 g/mol, XLogP of -1.23, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid is sourced from PubChem (CID 163340595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).