N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

C17H26N4O2 — CID 84570657

IUPACN-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H26N4O2/c22-17(18-6-3-7-20-10-12-23-13-11-20)15-4-5-16(19-14-15)21-8-1-2-9-21/h4-5,14H,1-3,6-13H2,(H,18,22)
InChIKeyYQEFSUFTJFKSLK-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.13
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 84570657) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID84570657
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H26N4O2/c22-17(18-6-3-7-20-10-12-23-13-11-20)15-4-5-16(19-14-15)21-8-1-2-9-21/h4-5,14H,1-3,6-13H2,(H,18,22)
InChIKeyYQEFSUFTJFKSLK-UHFFFAOYSA-N
XLogP1.13
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
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-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959342
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide
CID 53098773
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 47073596
N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 25367128
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
N-(2-morpholin-4-ylethyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273701
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 84570657) is N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is O=C(NCCCN1CCOCC1)c1ccc(N2CCCC2)nc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is YQEFSUFTJFKSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-17(18-6-3-7-20-10-12-23-13-11-20)15-4-5-16(19-14-15)21-8-1-2-9-21/h4-5,14H,1-3,6-13H2,(H,18,22).
What are the key properties of N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 84570657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).