N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide

C14H22N4O2 — CID 119496984

IUPACN-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCC(N)CCNC(=O)c1cccnc1N1CCOCC1
InChIInChI=1S/C14H22N4O2/c1-11(15)4-6-17-14(19)12-3-2-5-16-13(12)18-7-9-20-10-8-18/h2-3,5,11H,4,6-10,15H2,1H3,(H,17,19)
InChIKeyQNPXYKDLHGRCHL-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.39
Rot. Bonds5

About N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide

N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 119496984) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID119496984
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCC(N)CCNC(=O)c1cccnc1N1CCOCC1
InChIInChI=1S/C14H22N4O2/c1-11(15)4-6-17-14(19)12-3-2-5-16-13(12)18-7-9-20-10-8-18/h2-3,5,11H,4,6-10,15H2,1H3,(H,17,19)
InChIKeyQNPXYKDLHGRCHL-UHFFFAOYSA-N
XLogP0.39
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
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CID 453331
Nicopholine
CID 68116
2-Hydroxy nevirapine
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BI-RJ 70
CID 72347
N11-Ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453308
N11-Cyclopropyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453309
N11-Cyclobutyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453310
N5-Methyl-N11-propyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453312
N11-Isopropyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453313
4,N11-Diethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453335

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide (CID 119496984) is N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide is CC(N)CCNC(=O)c1cccnc1N1CCOCC1.
What is the InChIKey of N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is QNPXYKDLHGRCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(15)4-6-17-14(19)12-3-2-5-16-13(12)18-7-9-20-10-8-18/h2-3,5,11H,4,6-10,15H2,1H3,(H,17,19).
What are the key properties of N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide?
N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 119496984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).