N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

C18H24N4O — CID 109213420

IUPACN,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(NCc2ccncc2)ccn1
InChIInChI=1S/C18H24N4O/c1-3-11-22(12-4-2)18(23)17-13-16(7-10-20-17)21-14-15-5-8-19-9-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,20,21)
InChIKeyRSDDUSOUCPZSIY-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.35
Rot. Bonds8

About N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109213420) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID109213420
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(NCc2ccncc2)ccn1
InChIInChI=1S/C18H24N4O/c1-3-11-22(12-4-2)18(23)17-13-16(7-10-20-17)21-14-15-5-8-19-9-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,20,21)
InChIKeyRSDDUSOUCPZSIY-UHFFFAOYSA-N
XLogP3.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-2-carboxamide
CID 109211884
N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213415
4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide
CID 109215470
4-hydrazinyl-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
CID 62249260
4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109214742
4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218356
4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62180104
4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide
CID 109218362
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191623
4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 107232295
N-ethyl-4-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62247237

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (CID 109213420) is N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is CCCN(CCC)C(=O)c1cc(NCc2ccncc2)ccn1.
What is the InChIKey of N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is RSDDUSOUCPZSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-11-22(12-4-2)18(23)17-13-16(7-10-20-17)21-14-15-5-8-19-9-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,20,21).
What are the key properties of N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109213420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).