N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide

C17H29N5O2 — CID 109229586

IUPACN-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cncc(NCCN2CCOCC2)c1
InChIInChI=1S/C17H29N5O2/c1-21(2)6-3-4-20-17(23)15-12-16(14-18-13-15)19-5-7-22-8-10-24-11-9-22/h12-14,19H,3-11H2,1-2H3,(H,20,23)
InChIKeyVSEPHQLNMOOGSQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.51
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide

N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide (PubChem CID 109229586) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
PubChem CID109229586
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cncc(NCCN2CCOCC2)c1
InChIInChI=1S/C17H29N5O2/c1-21(2)6-3-4-20-17(23)15-12-16(14-18-13-15)19-5-7-22-8-10-24-11-9-22/h12-14,19H,3-11H2,1-2H3,(H,20,23)
InChIKeyVSEPHQLNMOOGSQ-UHFFFAOYSA-N
XLogP0.51
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103724
5-(2-morpholin-4-ylethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223173
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109153978
N-[4-(dimethylamino)phenyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229697
N-methyl-5-(2-morpholin-4-ylethylamino)-N-phenylpyridine-3-carboxamide
CID 109229643
5-[2-(2-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229476
5-[butyl(methyl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229497
N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229662
N-cycloheptyl-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 102253634
6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154098
5-(3,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229512
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115508

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide (CID 109229586) is N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide is CN(C)CCCNC(=O)c1cncc(NCCN2CCOCC2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide?
The InChIKey is VSEPHQLNMOOGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-21(2)6-3-4-20-17(23)15-12-16(14-18-13-15)19-5-7-22-8-10-24-11-9-22/h12-14,19H,3-11H2,1-2H3,(H,20,23).
What are the key properties of N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide?
N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 0.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109229586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).