N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide

C15H18N4O — CID 113024266

IUPACN-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide
SMILESCCC(C)Nc1ccc(NC(=O)c2cccnc2)nc1
InChIInChI=1S/C15H18N4O/c1-3-11(2)18-13-6-7-14(17-10-13)19-15(20)12-5-4-8-16-9-12/h4-11,18H,3H2,1-2H3,(H,17,19,20)
InChIKeyIZKBQVAONMUKPG-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.94
Rot. Bonds5

About N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide

N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 113024266) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID113024266
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide
SMILESCCC(C)Nc1ccc(NC(=O)c2cccnc2)nc1
InChIInChI=1S/C15H18N4O/c1-3-11(2)18-13-6-7-14(17-10-13)19-15(20)12-5-4-8-16-9-12/h4-11,18H,3H2,1-2H3,(H,17,19,20)
InChIKeyIZKBQVAONMUKPG-UHFFFAOYSA-N
XLogP2.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(propanoylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 43812722
N-[5-(2-methoxyethylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113025065
N-[5-(4-ethoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034364
N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031564
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]pyridine-3-carboxamide
CID 113025531
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113024232
N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034520
2-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 82034084
N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 113024217
N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113037962
N-[5-(3-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031450
N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide
CID 113009751

Frequently Asked Questions

What is the IUPAC name of N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide (CID 113024266) is N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide is CCC(C)Nc1ccc(NC(=O)c2cccnc2)nc1.
What is the InChIKey of N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is IZKBQVAONMUKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-11(2)18-13-6-7-14(17-10-13)19-15(20)12-5-4-8-16-9-12/h4-11,18H,3H2,1-2H3,(H,17,19,20).
What are the key properties of N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide?
N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 113024266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).