3-amino-6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide

C24H25N5O3 — CID 59472038

IUPAC3-amino-6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(C(=O)N3CCC(CO)CC3)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H25N5O3/c25-22-21(23(31)27-19-4-2-1-3-5-19)28-20(14-26-22)17-6-8-18(9-7-17)24(32)29-12-10-16(15-30)11-13-29/h1-9,14,16,30H,10-13,15H2,(H2,25,26)(H,27,31)
InChIKeyCIXBBCXHTSYDEX-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.82
Rot. Bonds5

About 3-amino-6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide

3-amino-6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 59472038) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-amino-6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID59472038
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name3-amino-6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(C(=O)N3CCC(CO)CC3)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H25N5O3/c25-22-21(23(31)27-19-4-2-1-3-5-19)28-20(14-26-22)17-6-8-18(9-7-17)24(32)29-12-10-16(15-30)11-13-29/h1-9,14,16,30H,10-13,15H2,(H2,25,26)(H,27,31)
InChIKeyCIXBBCXHTSYDEX-UHFFFAOYSA-N
XLogP2.82
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide (CID 59472038) is 3-amino-6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide is Nc1ncc(-c2ccc(C(=O)N3CCC(CO)CC3)cc2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is CIXBBCXHTSYDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c25-22-21(23(31)27-19-4-2-1-3-5-19)28-20(14-26-22)17-6-8-18(9-7-17)24(32)29-12-10-16(15-30)11-13-29/h1-9,14,16,30H,10-13,15H2,(H2,25,26)(H,27,31).
What are the key properties of 3-amino-6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
3-amino-6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 59472038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).