2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide

C27H33N3O — CID 18727468

IUPAC2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide
SMILESNC(Cc1cccnc1)C(=O)NC(CCCc1ccccc1)CCCc1ccccc1
InChIInChI=1S/C27H33N3O/c28-26(20-24-16-9-19-29-21-24)27(31)30-25(17-7-14-22-10-3-1-4-11-22)18-8-15-23-12-5-2-6-13-23/h1-6,9-13,16,19,21,25-26H,7-8,14-15,17-18,20,28H2,(H,30,31)
InChIKeyOHRUUWGDCUOSCB-UHFFFAOYSA-N
MW415.58 g/mol
LogP4.48
Rot. Bonds12

About 2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide

2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide (PubChem CID 18727468) has the molecular formula C27H33N3O and a molecular weight of 415.58 g/mol. Its IUPAC name is 2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide
PubChem CID18727468
Molecular FormulaC27H33N3O
Molecular Weight415.58 g/mol
Exact Mass415.26
IUPAC Name2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide
SMILESNC(Cc1cccnc1)C(=O)NC(CCCc1ccccc1)CCCc1ccccc1
InChIInChI=1S/C27H33N3O/c28-26(20-24-16-9-19-29-21-24)27(31)30-25(17-7-14-22-10-3-1-4-11-22)18-8-15-23-12-5-2-6-13-23/h1-6,9-13,16,19,21,25-26H,7-8,14-15,17-18,20,28H2,(H,30,31)
InChIKeyOHRUUWGDCUOSCB-UHFFFAOYSA-N
XLogP4.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-phenyl-1-pyridin-3-ylpentan-2-amine
CID 62604554
(2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 104984672
2-amino-3-pyridin-3-ylpropanal;N-methyl-1,7-diphenylheptan-4-amine
CID 142138157
1-pyridin-3-ylheptan-4-ylcarbamic acid
CID 22155280
benzyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]phenyl]methyl]carbamate
CID 71185995
2-amino-N-ethyl-3-pyridin-3-ylpropanamide
CID 129276971
N-methyl-6-phenyl-1-pyridin-3-ylhexan-3-amine
CID 105139816
benzyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]phenyl]methyl]carbamate;dihydrochloride
CID 89350834
(4S)-4-[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 175691602
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide
CID 14991605
tert-butyl 4-[[1-(1,7-diphenylheptan-4-ylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 18727502
(4R)-6-(4-phenoxyphenyl)-4-(7-pyridin-3-ylheptanoylamino)hexanoic acid
CID 69413790

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide?
The IUPAC name of 2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide (CID 18727468) is 2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for 2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide is NC(Cc1cccnc1)C(=O)NC(CCCc1ccccc1)CCCc1ccccc1.
What is the InChIKey of 2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide?
The InChIKey is OHRUUWGDCUOSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O/c28-26(20-24-16-9-19-29-21-24)27(31)30-25(17-7-14-22-10-3-1-4-11-22)18-8-15-23-12-5-2-6-13-23/h1-6,9-13,16,19,21,25-26H,7-8,14-15,17-18,20,28H2,(H,30,31).
What are the key properties of 2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide?
2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide has a molecular weight of 415.58 g/mol, XLogP of 4.48, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 18727468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).