[2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid

C16H18N4O4 — CID 174188049

IUPAC[2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
SMILESCC(=O)Nc1cc(NC(=O)O)c(-c2ccc(C(C)(C)O)cn2)cn1
InChIInChI=1S/C16H18N4O4/c1-9(21)19-14-6-13(20-15(22)23)11(8-18-14)12-5-4-10(7-17-12)16(2,3)24/h4-8,24H,1-3H3,(H,22,23)(H2,18,19,20,21)
InChIKeyGGGMNXCAENCEMI-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.42
Rot. Bonds4

About [2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid

[2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid (PubChem CID 174188049) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is [2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
PubChem CID174188049
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name[2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
SMILESCC(=O)Nc1cc(NC(=O)O)c(-c2ccc(C(C)(C)O)cn2)cn1
InChIInChI=1S/C16H18N4O4/c1-9(21)19-14-6-13(20-15(22)23)11(8-18-14)12-5-4-10(7-17-12)16(2,3)24/h4-8,24H,1-3H3,(H,22,23)(H2,18,19,20,21)
InChIKeyGGGMNXCAENCEMI-UHFFFAOYSA-N
XLogP2.42
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide
CID 166918948
N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonyl-5-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 166918885
N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide
CID 166918764
[2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
CID 174188070
N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide
CID 166918469
tert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate
CID 170731235
N-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide
CID 166918898
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide
CID 175990690
N-[4-[[4-[(2S)-2-hydroxypropoxy]-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]acetamide
CID 166918752
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(difluoromethoxy)-2-pyridinyl]-2-pyridinyl]acetamide
CID 175990883
N-[4-[3-(3-hydroxycyclobutyl)oxy-5-methylsulfonylanilino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]acetamide
CID 166918912
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide
CID 175991044

Frequently Asked Questions

What is the IUPAC name of [2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid?
The IUPAC name of [2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid (CID 174188049) is [2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid.
What is the SMILES notation for [2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid?
The canonical SMILES for [2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid is CC(=O)Nc1cc(NC(=O)O)c(-c2ccc(C(C)(C)O)cn2)cn1.
What is the InChIKey of [2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid?
The InChIKey is GGGMNXCAENCEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-9(21)19-14-6-13(20-15(22)23)11(8-18-14)12-5-4-10(7-17-12)16(2,3)24/h4-8,24H,1-3H3,(H,22,23)(H2,18,19,20,21).
What are the key properties of [2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid?
[2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid has a molecular weight of 330.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid is sourced from PubChem (CID 174188049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).