4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide

C12H17N5O2 — CID 173222605

IUPAC4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide
SMILESCC1CN(C(N)=O)CCN1c1ncccc1C(N)=O
InChIInChI=1S/C12H17N5O2/c1-8-7-16(12(14)19)5-6-17(8)11-9(10(13)18)3-2-4-15-11/h2-4,8H,5-7H2,1H3,(H2,13,18)(H2,14,19)
InChIKeyIXHMXTCTLBFGAB-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.23
Rot. Bonds2

About 4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide

4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide (PubChem CID 173222605) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide
PubChem CID173222605
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide
SMILESCC1CN(C(N)=O)CCN1c1ncccc1C(N)=O
InChIInChI=1S/C12H17N5O2/c1-8-7-16(12(14)19)5-6-17(8)11-9(10(13)18)3-2-4-15-11/h2-4,8H,5-7H2,1H3,(H2,13,18)(H2,14,19)
InChIKeyIXHMXTCTLBFGAB-UHFFFAOYSA-N
XLogP-0.23
TPSA105.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide (CID 173222605) is 4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide is CC1CN(C(N)=O)CCN1c1ncccc1C(N)=O.
What is the InChIKey of 4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide?
The InChIKey is IXHMXTCTLBFGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8-7-16(12(14)19)5-6-17(8)11-9(10(13)18)3-2-4-15-11/h2-4,8H,5-7H2,1H3,(H2,13,18)(H2,14,19).
What are the key properties of 4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide?
4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide is sourced from PubChem (CID 173222605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).