N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide

C14H22N4O — CID 119888082

IUPACN-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(NCCCNC(=O)C2CCNC2)nc1
InChIInChI=1S/C14H22N4O/c1-11-3-4-13(18-9-11)16-6-2-7-17-14(19)12-5-8-15-10-12/h3-4,9,12,15H,2,5-8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyIJPYNTWTBKXNSH-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.92
Rot. Bonds6

About N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide

N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide (PubChem CID 119888082) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide
PubChem CID119888082
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(NCCCNC(=O)C2CCNC2)nc1
InChIInChI=1S/C14H22N4O/c1-11-3-4-13(18-9-11)16-6-2-7-17-14(19)12-5-8-15-10-12/h3-4,9,12,15H,2,5-8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyIJPYNTWTBKXNSH-UHFFFAOYSA-N
XLogP0.92
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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]pyrrolidine-3-carboxamide;dihydrochloride
CID 119888081
N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide
CID 119854606
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide
CID 131922621
N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide
CID 119874721
N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119874720
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154911752
N-[3-[(5-amino-2-pyridinyl)amino]propyl]cyclopropanecarboxamide
CID 82331101
N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119867816
(3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99816809
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]acetamide;dihydrochloride
CID 119888049
(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 97033170
5-methyl-N-(2-piperidin-4-ylethyl)pyridin-2-amine
CID 83837473

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide (CID 119888082) is N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide is Cc1ccc(NCCCNC(=O)C2CCNC2)nc1.
What is the InChIKey of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide?
The InChIKey is IJPYNTWTBKXNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-3-4-13(18-9-11)16-6-2-7-17-14(19)12-5-8-15-10-12/h3-4,9,12,15H,2,5-8,10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide?
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119888082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).