N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide

C24H36N6O2 — CID 23251114

IUPACN-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCCCCNCCNC(=O)c1ccnc(-c2cc(C(=O)NCCNCCCC)ccn2)c1
InChIInChI=1S/C24H36N6O2/c1-3-5-9-25-13-15-29-23(31)19-7-11-27-21(17-19)22-18-20(8-12-28-22)24(32)30-16-14-26-10-6-4-2/h7-8,11-12,17-18,25-26H,3-6,9-10,13-16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyCSGCUJZXVZLSKS-UHFFFAOYSA-N
MW440.59 g/mol
LogP2.38
Rot. Bonds15

About N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide

N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 23251114) has the molecular formula C24H36N6O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide
PubChem CID23251114
Molecular FormulaC24H36N6O2
Molecular Weight440.59 g/mol
Exact Mass440.29
IUPAC NameN-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCCCCNCCNC(=O)c1ccnc(-c2cc(C(=O)NCCNCCCC)ccn2)c1
InChIInChI=1S/C24H36N6O2/c1-3-5-9-25-13-15-29-23(31)19-7-11-27-21(17-19)22-18-20(8-12-28-22)24(32)30-16-14-26-10-6-4-2/h7-8,11-12,17-18,25-26H,3-6,9-10,13-16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyCSGCUJZXVZLSKS-UHFFFAOYSA-N
XLogP2.38
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 58451869
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide
CID 106753602
2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide
CID 109165401
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
N-butylpyridine-4-carboxamide
CID 5030535
2-bromo-N-hexylpyridine-4-carboxamide
CID 103752172
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide
CID 10149325

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide (CID 23251114) is N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide is CCCCNCCNC(=O)c1ccnc(-c2cc(C(=O)NCCNCCCC)ccn2)c1.
What is the InChIKey of N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is CSGCUJZXVZLSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O2/c1-3-5-9-25-13-15-29-23(31)19-7-11-27-21(17-19)22-18-20(8-12-28-22)24(32)30-16-14-26-10-6-4-2/h7-8,11-12,17-18,25-26H,3-6,9-10,13-16H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide?
N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 2.38, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 23251114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).