4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide

C16H26N4O — CID 43517815

IUPAC4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N(CCCN)C2CCCC2)ccn1
InChIInChI=1S/C16H26N4O/c1-2-18-16(21)15-12-14(8-10-19-15)20(11-5-9-17)13-6-3-4-7-13/h8,10,12-13H,2-7,9,11,17H2,1H3,(H,18,21)
InChIKeyALRYRJZILXCQOD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.93
Rot. Bonds7

About 4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide

4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide (PubChem CID 43517815) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide
PubChem CID43517815
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N(CCCN)C2CCCC2)ccn1
InChIInChI=1S/C16H26N4O/c1-2-18-16(21)15-12-14(8-10-19-15)20(11-5-9-17)13-6-3-4-7-13/h8,10,12-13H,2-7,9,11,17H2,1H3,(H,18,21)
InChIKeyALRYRJZILXCQOD-UHFFFAOYSA-N
XLogP1.93
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-aminopropyl(cyclohexyl)amino]pyridine-2-carboxamide
CID 43517535
4-[3-aminopropyl(propan-2-yl)amino]-N-ethylpyridine-2-carboxamide
CID 43517813
ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate
CID 62005920
N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine
CID 43137168
3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 60829186
N-ethyl-4-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxamide
CID 107203439
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906
4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873
4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide
CID 62925199
4-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylpyridine-2-carboxamide
CID 63766258
N-ethyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 106621257
2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
CID 113367679

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide (CID 43517815) is 4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide is CCNC(=O)c1cc(N(CCCN)C2CCCC2)ccn1.
What is the InChIKey of 4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide?
The InChIKey is ALRYRJZILXCQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-18-16(21)15-12-14(8-10-19-15)20(11-5-9-17)13-6-3-4-7-13/h8,10,12-13H,2-7,9,11,17H2,1H3,(H,18,21).
What are the key properties of 4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide?
4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 43517815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).