N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide

C12H19N3O — CID 62171647

IUPACN-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NC(C)CC)c1
InChIInChI=1S/C12H19N3O/c1-4-9(3)15-12(16)11-8-10(13-5-2)6-7-14-11/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyAMYNTTPOGLREML-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.04
Rot. Bonds5

About N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide

N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide (PubChem CID 62171647) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
PubChem CID62171647
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NC(C)CC)c1
InChIInChI=1S/C12H19N3O/c1-4-9(3)15-12(16)11-8-10(13-5-2)6-7-14-11/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyAMYNTTPOGLREML-UHFFFAOYSA-N
XLogP2.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide
CID 109202657
N-[4-(dimethylamino)butan-2-yl]-4-(ethylamino)pyridine-2-carboxamide
CID 55046863
N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109203268
N-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109203245
4-anilino-N-butan-2-ylpyridine-2-carboxamide
CID 109203318
N-pentan-2-yl-4-(propylamino)pyridine-2-carboxamide
CID 62185598
N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109203336
N-butan-2-yl-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109203234
N-[1-(4-bromophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62173589
N-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62175472
N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109203359
N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide
CID 109203340

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide (CID 62171647) is N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide is CCNc1ccnc(C(=O)NC(C)CC)c1.
What is the InChIKey of N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide?
The InChIKey is AMYNTTPOGLREML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-9(3)15-12(16)11-8-10(13-5-2)6-7-14-11/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide?
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62171647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).