2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide

C21H33N5O4 — CID 4595283

IUPAC2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(C(=O)NCCCN2CCOCC2)nc1
InChIInChI=1S/C21H33N5O4/c27-20(22-5-1-7-25-9-13-29-14-10-25)18-3-4-19(24-17-18)21(28)23-6-2-8-26-11-15-30-16-12-26/h3-4,17H,1-2,5-16H2,(H,22,27)(H,23,28)
InChIKeyKKJICFRTLBDEIH-UHFFFAOYSA-N
MW419.53 g/mol
LogP-0.01
Rot. Bonds10

About 2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide

2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide (PubChem CID 4595283) has the molecular formula C21H33N5O4 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
PubChem CID4595283
Molecular FormulaC21H33N5O4
Molecular Weight419.53 g/mol
Exact Mass419.25
IUPAC Name2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(C(=O)NCCCN2CCOCC2)nc1
InChIInChI=1S/C21H33N5O4/c27-20(22-5-1-7-25-9-13-29-14-10-25)18-3-4-19(24-17-18)21(28)23-6-2-8-26-11-15-30-16-12-26/h3-4,17H,1-2,5-16H2,(H,22,27)(H,23,28)
InChIKeyKKJICFRTLBDEIH-UHFFFAOYSA-N
XLogP-0.01
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 63724916
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
5-cyano-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 63717300
N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84570657
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959342
N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
CID 141309481
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109153978

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide (CID 4595283) is 2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide is O=C(NCCCN1CCOCC1)c1ccc(C(=O)NCCCN2CCOCC2)nc1.
What is the InChIKey of 2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide?
The InChIKey is KKJICFRTLBDEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O4/c27-20(22-5-1-7-25-9-13-29-14-10-25)18-3-4-19(24-17-18)21(28)23-6-2-8-26-11-15-30-16-12-26/h3-4,17H,1-2,5-16H2,(H,22,27)(H,23,28).
What are the key properties of 2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide?
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide has a molecular weight of 419.53 g/mol, XLogP of -0.01, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 4595283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).