N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide

C13H21N3O — CID 109179241

IUPACN-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)NC(C)CC)nc1
InChIInChI=1S/C13H21N3O/c1-4-8-14-11-6-7-12(15-9-11)13(17)16-10(3)5-2/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyUIBIYDSVDKXPCW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.43
Rot. Bonds6

About N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide

N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide (PubChem CID 109179241) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
PubChem CID109179241
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)NC(C)CC)nc1
InChIInChI=1S/C13H21N3O/c1-4-8-14-11-6-7-12(15-9-11)13(17)16-10(3)5-2/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyUIBIYDSVDKXPCW-UHFFFAOYSA-N
XLogP2.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide
CID 109180814
N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 104640604
N-(4-methoxybutan-2-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641554
N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180426
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
N-butan-2-yl-4-(propylamino)benzamide
CID 62171300
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
5-(ethylamino)-N-hexan-2-ylpyridine-2-carboxamide
CID 113436154
N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109181397
N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide
CID 109181549
N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide
CID 104765582
N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179407

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide (CID 109179241) is N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(C(=O)NC(C)CC)nc1.
What is the InChIKey of N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide?
The InChIKey is UIBIYDSVDKXPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-8-14-11-6-7-12(15-9-11)13(17)16-10(3)5-2/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide?
N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109179241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).