(2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide

C15H23N5O2 — CID 124946415

IUPAC(2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)c2cccnc2N)CCN1C(C)C
InChIInChI=1S/C15H23N5O2/c1-10(2)20-8-7-19(9-12(20)14(21)17-3)15(22)11-5-4-6-18-13(11)16/h4-6,10,12H,7-9H2,1-3H3,(H2,16,18)(H,17,21)/t12-/m1/s1
InChIKeyBYAPOVXTHZQPRP-GFCCVEGCSA-N
MW305.38 g/mol
LogP-0.06
Rot. Bonds3

About (2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide

(2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide (PubChem CID 124946415) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide
PubChem CID124946415
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)c2cccnc2N)CCN1C(C)C
InChIInChI=1S/C15H23N5O2/c1-10(2)20-8-7-19(9-12(20)14(21)17-3)15(22)11-5-4-6-18-13(11)16/h4-6,10,12H,7-9H2,1-3H3,(H2,16,18)(H,17,21)/t12-/m1/s1
InChIKeyBYAPOVXTHZQPRP-GFCCVEGCSA-N
XLogP-0.06
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of (2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide (CID 124946415) is (2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide is CNC(=O)[C@H]1CN(C(=O)c2cccnc2N)CCN1C(C)C.
What is the InChIKey of (2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is BYAPOVXTHZQPRP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10(2)20-8-7-19(9-12(20)14(21)17-3)15(22)11-5-4-6-18-13(11)16/h4-6,10,12H,7-9H2,1-3H3,(H2,16,18)(H,17,21)/t12-/m1/s1.
What are the key properties of (2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide?
(2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 124946415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).