[4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid

C19H26N4O3 — CID 118420194

IUPAC[4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid
SMILESCc1nc(-c2ccnc(NC(=O)O)c2)ccc1OCC(C)(N)CC(C)C
InChIInChI=1S/C19H26N4O3/c1-12(2)10-19(4,20)11-26-16-6-5-15(22-13(16)3)14-7-8-21-17(9-14)23-18(24)25/h5-9,12H,10-11,20H2,1-4H3,(H,21,23)(H,24,25)
InChIKeyYOCKFMSSJBOXIW-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.68
Rot. Bonds7

About [4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid

[4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid (PubChem CID 118420194) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is [4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid
PubChem CID118420194
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name[4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid
SMILESCc1nc(-c2ccnc(NC(=O)O)c2)ccc1OCC(C)(N)CC(C)C
InChIInChI=1S/C19H26N4O3/c1-12(2)10-19(4,20)11-26-16-6-5-15(22-13(16)3)14-7-8-21-17(9-14)23-18(24)25/h5-9,12H,10-11,20H2,1-4H3,(H,21,23)(H,24,25)
InChIKeyYOCKFMSSJBOXIW-UHFFFAOYSA-N
XLogP3.68
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-[2-amino-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid
CID 146190512
[4-[5-[(2R)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]-methylcarbamic acid
CID 135325687
[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]-methylcarbamic acid
CID 135325635
[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbamic acid
CID 135282057
N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(difluoromethyl)phenyl]-2-pyridinyl]acetamide
CID 118419714
N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbutanamide
CID 137350684
[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate
CID 175073261
2-acetamido-N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide
CID 137459402
N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]propanamide
CID 152925171
methyl N-[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-4-(difluoromethyl)-2-pyridinyl]-2-pyridinyl]carbamate
CID 118429774
N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]cyclobutanecarboxamide
CID 137459458
[4-[5-(2-amino-2,4-dimethylpentoxy)-5-fluoro-6-methyl-4H-pyridin-2-yl]-2-pyridinyl]carbamic acid
CID 118420028

Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid?
The IUPAC name of [4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid (CID 118420194) is [4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid is Cc1nc(-c2ccnc(NC(=O)O)c2)ccc1OCC(C)(N)CC(C)C.
What is the InChIKey of [4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid?
The InChIKey is YOCKFMSSJBOXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12(2)10-19(4,20)11-26-16-6-5-15(22-13(16)3)14-7-8-21-17(9-14)23-18(24)25/h5-9,12H,10-11,20H2,1-4H3,(H,21,23)(H,24,25).
What are the key properties of [4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid?
[4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid has a molecular weight of 358.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 118420194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).