N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide

C19H30N4O2 — CID 86778769

IUPACN-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide
SMILESCc1ccc(NCCCNC(=O)C2(N3CCOCC3)CCCC2)nc1
InChIInChI=1S/C19H30N4O2/c1-16-5-6-17(22-15-16)20-9-4-10-21-18(24)19(7-2-3-8-19)23-11-13-25-14-12-23/h5-6,15H,2-4,7-14H2,1H3,(H,20,22)(H,21,24)
InChIKeyYKWIMLJIWUNUNH-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.95
Rot. Bonds7

About N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide

N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide (PubChem CID 86778769) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide
PubChem CID86778769
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide
SMILESCc1ccc(NCCCNC(=O)C2(N3CCOCC3)CCCC2)nc1
InChIInChI=1S/C19H30N4O2/c1-16-5-6-17(22-15-16)20-9-4-10-21-18(24)19(7-2-3-8-19)23-11-13-25-14-12-23/h5-6,15H,2-4,7-14H2,1H3,(H,20,22)(H,21,24)
InChIKeyYKWIMLJIWUNUNH-UHFFFAOYSA-N
XLogP1.95
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.95
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]-2-morpholin-4-ylbenzamide
CID 91791359
1-morpholin-4-yl-N-(3-pyridin-3-yloxypropyl)cyclohexane-1-carboxamide
CID 118774806
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-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide
CID 124626187
2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide
CID 119888018
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154911752
[4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 131898169
(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 97033170
3-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111003658
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]acetamide
CID 124749664
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]acetamide
CID 124749663

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide (CID 86778769) is N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide is Cc1ccc(NCCCNC(=O)C2(N3CCOCC3)CCCC2)nc1.
What is the InChIKey of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide?
The InChIKey is YKWIMLJIWUNUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-16-5-6-17(22-15-16)20-9-4-10-21-18(24)19(7-2-3-8-19)23-11-13-25-14-12-23/h5-6,15H,2-4,7-14H2,1H3,(H,20,22)(H,21,24).
What are the key properties of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide?
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 1.95, 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]-1-morpholin-4-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 86778769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).