N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide

C15H25N3O2 — CID 79386430

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)N(CC)CC(C)(C)O)c1
InChIInChI=1S/C15H25N3O2/c1-5-8-16-12-7-9-17-13(10-12)14(19)18(6-2)11-15(3,4)20/h7,9-10,20H,5-6,8,11H2,1-4H3,(H,16,17)
InChIKeyCQCXXRWUQINBCX-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.14
Rot. Bonds7

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide (PubChem CID 79386430) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
PubChem CID79386430
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)N(CC)CC(C)(C)O)c1
InChIInChI=1S/C15H25N3O2/c1-5-8-16-12-7-9-17-13(10-12)14(19)18(6-2)11-15(3,4)20/h7,9-10,20H,5-6,8,11H2,1-4H3,(H,16,17)
InChIKeyCQCXXRWUQINBCX-UHFFFAOYSA-N
XLogP2.14
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N-(cyclopropylmethyl)-N-ethyl-4-(propylamino)pyridine-2-carboxamide
CID 63939735
N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418
N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide
CID 106290832
4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 114384362
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide
CID 109205585
N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide
CID 106222471
4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62180104
4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62172967
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 114694391
N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
CID 62181706

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide (CID 79386430) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)N(CC)CC(C)(C)O)c1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is CQCXXRWUQINBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-8-16-12-7-9-17-13(10-12)14(19)18(6-2)11-15(3,4)20/h7,9-10,20H,5-6,8,11H2,1-4H3,(H,16,17).
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 79386430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).