N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide

C20H26N4O2 — CID 91791359

IUPACN-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide
SMILESCc1ccc(NCCCNC(=O)c2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C20H26N4O2/c1-16-7-8-19(23-15-16)21-9-4-10-22-20(25)17-5-2-3-6-18(17)24-11-13-26-14-12-24/h2-3,5-8,15H,4,9-14H2,1H3,(H,21,23)(H,22,25)
InChIKeyYKGWHCMMWNWVDY-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.46
Rot. Bonds7

About N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide

N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide (PubChem CID 91791359) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide
PubChem CID91791359
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide
SMILESCc1ccc(NCCCNC(=O)c2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C20H26N4O2/c1-16-7-8-19(23-15-16)21-9-4-10-22-20(25)17-5-2-3-6-18(17)24-11-13-26-14-12-24/h2-3,5-8,15H,4,9-14H2,1H3,(H,21,23)(H,22,25)
InChIKeyYKGWHCMMWNWVDY-UHFFFAOYSA-N
XLogP2.46
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide
CID 86778769
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
2-morpholin-4-ylbenzohydrazide
CID 7148386
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide
CID 131922621
5-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 23551658
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide
CID 120827445
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride
CID 120827444
4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide
CID 131899881
1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone
CID 75384454
2-morpholin-4-yl-N-pentylpyridine-3-carboxamide
CID 36701402
N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide
CID 77086310

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide (CID 91791359) is N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide is Cc1ccc(NCCCNC(=O)c2ccccc2N2CCOCC2)nc1.
What is the InChIKey of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide?
The InChIKey is YKGWHCMMWNWVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-16-7-8-19(23-15-16)21-9-4-10-22-20(25)17-5-2-3-6-18(17)24-11-13-26-14-12-24/h2-3,5-8,15H,4,9-14H2,1H3,(H,21,23)(H,22,25).
What are the key properties of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide?
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 91791359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).