N-[5-[1,2-dihydroxy-3-(methylamino)propyl]-6-methyl-2-pyridinyl]acetamide

C12H19N3O3 — CID 171858585

IUPACN-[5-[1,2-dihydroxy-3-(methylamino)propyl]-6-methyl-2-pyridinyl]acetamide
SMILESCNCC(O)C(O)c1ccc(NC(C)=O)nc1C
InChIInChI=1S/C12H19N3O3/c1-7-9(12(18)10(17)6-13-3)4-5-11(14-7)15-8(2)16/h4-5,10,12-13,17-18H,6H2,1-3H3,(H,14,15,16)
InChIKeyVBEQOPMJPFZDKK-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.04
Rot. Bonds5

About N-[5-[1,2-dihydroxy-3-(methylamino)propyl]-6-methyl-2-pyridinyl]acetamide

N-[5-[1,2-dihydroxy-3-(methylamino)propyl]-6-methyl-2-pyridinyl]acetamide (PubChem CID 171858585) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[5-[1,2-dihydroxy-3-(methylamino)propyl]-6-methyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[1,2-dihydroxy-3-(methylamino)propyl]-6-methyl-2-pyridinyl]acetamide
PubChem CID171858585
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[5-[1,2-dihydroxy-3-(methylamino)propyl]-6-methyl-2-pyridinyl]acetamide
SMILESCNCC(O)C(O)c1ccc(NC(C)=O)nc1C
InChIInChI=1S/C12H19N3O3/c1-7-9(12(18)10(17)6-13-3)4-5-11(14-7)15-8(2)16/h4-5,10,12-13,17-18H,6H2,1-3H3,(H,14,15,16)
InChIKeyVBEQOPMJPFZDKK-UHFFFAOYSA-N
XLogP-0.04
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide
CID 170818483
S-[4-(6-acetamido-2-methyl-3-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171876528
N-[3-(6-amino-2-methyl-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829714
N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide
CID 171858433
5-[1,2-dihydroxy-3-(methylamino)propyl]naphthalene-1-carboxylic acid
CID 171858908
3-[1,2-dihydroxy-3-(methylamino)propyl]-2-fluorobenzoic acid
CID 171858209
2-[5-chloro-2-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetic acid
CID 171858485
3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol
CID 171858135
methyl 3-[1,2-dihydroxy-3-(methylamino)propyl]-4-methylbenzoate
CID 171858509
S-[4-(2,6-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875619
N-[5-(3-aminoprop-1-enyl)-6-methyl-2-pyridinyl]acetamide
CID 169464106
9H-fluoren-9-ylmethyl N-[3-(2,6-dimethyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833908

Frequently Asked Questions

What is the IUPAC name of N-[5-[1,2-dihydroxy-3-(methylamino)propyl]-6-methyl-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[1,2-dihydroxy-3-(methylamino)propyl]-6-methyl-2-pyridinyl]acetamide (CID 171858585) is N-[5-[1,2-dihydroxy-3-(methylamino)propyl]-6-methyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[1,2-dihydroxy-3-(methylamino)propyl]-6-methyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[1,2-dihydroxy-3-(methylamino)propyl]-6-methyl-2-pyridinyl]acetamide is CNCC(O)C(O)c1ccc(NC(C)=O)nc1C.
What is the InChIKey of N-[5-[1,2-dihydroxy-3-(methylamino)propyl]-6-methyl-2-pyridinyl]acetamide?
The InChIKey is VBEQOPMJPFZDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7-9(12(18)10(17)6-13-3)4-5-11(14-7)15-8(2)16/h4-5,10,12-13,17-18H,6H2,1-3H3,(H,14,15,16).
What are the key properties of N-[5-[1,2-dihydroxy-3-(methylamino)propyl]-6-methyl-2-pyridinyl]acetamide?
N-[5-[1,2-dihydroxy-3-(methylamino)propyl]-6-methyl-2-pyridinyl]acetamide has a molecular weight of 253.30 g/mol, XLogP of -0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1,2-dihydroxy-3-(methylamino)propyl]-6-methyl-2-pyridinyl]acetamide is sourced from PubChem (CID 171858585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).