2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide

C16H21N3O3 — CID 135089644

IUPAC2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(NCC(CO)Cc2ccco2)nc1C
InChIInChI=1S/C16H21N3O3/c1-10-6-14(15(17)21)16(19-11(10)2)18-8-12(9-20)7-13-4-3-5-22-13/h3-6,12,20H,7-9H2,1-2H3,(H2,17,21)(H,18,19)
InChIKeyRNKDXQGUBSEEOT-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.65
Rot. Bonds7

About 2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide

2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide (PubChem CID 135089644) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide
PubChem CID135089644
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(NCC(CO)Cc2ccco2)nc1C
InChIInChI=1S/C16H21N3O3/c1-10-6-14(15(17)21)16(19-11(10)2)18-8-12(9-20)7-13-4-3-5-22-13/h3-6,12,20H,7-9H2,1-2H3,(H2,17,21)(H,18,19)
InChIKeyRNKDXQGUBSEEOT-UHFFFAOYSA-N
XLogP1.65
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 137335518
4-[[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-3-nitrobenzamide
CID 25469998
N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72873733
N-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 96578149
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide
CID 131918603
(2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol
CID 31659755
(3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid
CID 142030961
ethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate
CID 42944313
1-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea
CID 97453437
N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 70774373
1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea
CID 125165565
[4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-3-nitrophenyl]-phenylmethanone
CID 42943765

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide (CID 135089644) is 2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide is Cc1cc(C(N)=O)c(NCC(CO)Cc2ccco2)nc1C.
What is the InChIKey of 2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide?
The InChIKey is RNKDXQGUBSEEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-6-14(15(17)21)16(19-11(10)2)18-8-12(9-20)7-13-4-3-5-22-13/h3-6,12,20H,7-9H2,1-2H3,(H2,17,21)(H,18,19).
What are the key properties of 2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide?
2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 135089644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).