N-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide

C16H20N4O2 — CID 95286023

IUPACN-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide
SMILESC[C@@H](CNC(=O)c1cccnc1Oc1cccnc1)N(C)C
InChIInChI=1S/C16H20N4O2/c1-12(20(2)3)10-19-15(21)14-7-5-9-18-16(14)22-13-6-4-8-17-11-13/h4-9,11-12H,10H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyUBDKZOACNRURMC-LBPRGKRZSA-N
MW300.36 g/mol
LogP1.95
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide

N-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide (PubChem CID 95286023) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide
PubChem CID95286023
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide
SMILESC[C@@H](CNC(=O)c1cccnc1Oc1cccnc1)N(C)C
InChIInChI=1S/C16H20N4O2/c1-12(20(2)3)10-19-15(21)14-7-5-9-18-16(14)22-13-6-4-8-17-11-13/h4-9,11-12H,10H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyUBDKZOACNRURMC-LBPRGKRZSA-N
XLogP1.95
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 166208718
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 51130329
N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 71856738
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326
N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612035
N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 51725711
4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 75446980
N-[2-(dimethylamino)propyl]-3-hydrazinylpyridine-4-carboxamide
CID 105071837
2-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 39561652
N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374131
2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide
CID 119060315

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide (CID 95286023) is N-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide is C[C@@H](CNC(=O)c1cccnc1Oc1cccnc1)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
The InChIKey is UBDKZOACNRURMC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(20(2)3)10-19-15(21)14-7-5-9-18-16(14)22-13-6-4-8-17-11-13/h4-9,11-12H,10H2,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
N-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide is sourced from PubChem (CID 95286023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).