N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

C18H24N6O — CID 109225181

IUPACN-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C18H24N6O/c1-3-14(2)22-17(25)15-11-16(13-19-12-15)23-7-9-24(10-8-23)18-20-5-4-6-21-18/h4-6,11-14H,3,7-10H2,1-2H3,(H,22,25)
InChIKeyFJPRNSMIJHSUAJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.73
Rot. Bonds5

About N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109225181) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109225181
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C18H24N6O/c1-3-14(2)22-17(25)15-11-16(13-19-12-15)23-7-9-24(10-8-23)18-20-5-4-6-21-18/h4-6,11-14H,3,7-10H2,1-2H3,(H,22,25)
InChIKeyFJPRNSMIJHSUAJ-UHFFFAOYSA-N
XLogP1.73
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225130
N-butan-2-yl-5-morpholin-4-ylpyridine-3-carboxamide
CID 109225123
ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109225171
(4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230456
N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109238727
N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109273181
N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109238742
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109248819
[5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109225372
N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109246934
(4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109227055
5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223207

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (CID 109225181) is N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is FJPRNSMIJHSUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-3-14(2)22-17(25)15-11-16(13-19-12-15)23-7-9-24(10-8-23)18-20-5-4-6-21-18/h4-6,11-14H,3,7-10H2,1-2H3,(H,22,25).
What are the key properties of N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109225181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).