N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide

C12H17N5O3 — CID 60799810

IUPACN-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide
SMILESNC(=O)CN(C(=O)c1c[nH]c(=O)cn1)C1CCNCC1
InChIInChI=1S/C12H17N5O3/c13-10(18)7-17(8-1-3-14-4-2-8)12(20)9-5-16-11(19)6-15-9/h5-6,8,14H,1-4,7H2,(H2,13,18)(H,16,19)
InChIKeyZFKDVZQNUOCABC-UHFFFAOYSA-N
MW279.30 g/mol
LogP-1.55
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide

N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide (PubChem CID 60799810) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide
PubChem CID60799810
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC NameN-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide
SMILESNC(=O)CN(C(=O)c1c[nH]c(=O)cn1)C1CCNCC1
InChIInChI=1S/C12H17N5O3/c13-10(18)7-17(8-1-3-14-4-2-8)12(20)9-5-16-11(19)6-15-9/h5-6,8,14H,1-4,7H2,(H2,13,18)(H,16,19)
InChIKeyZFKDVZQNUOCABC-UHFFFAOYSA-N
XLogP-1.55
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide (CID 60799810) is N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide is NC(=O)CN(C(=O)c1c[nH]c(=O)cn1)C1CCNCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide?
The InChIKey is ZFKDVZQNUOCABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c13-10(18)7-17(8-1-3-14-4-2-8)12(20)9-5-16-11(19)6-15-9/h5-6,8,14H,1-4,7H2,(H2,13,18)(H,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide?
N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of -1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 60799810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).