[4-[5-[2-amino-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid

C19H23F3N4O3 — CID 146190512

IUPAC[4-[5-[2-amino-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid
SMILESCc1nc(-c2ccnc(NC(=O)O)c2)ccc1OCC(N)(CC(C)C)C(F)(F)F
InChIInChI=1S/C19H23F3N4O3/c1-11(2)9-18(23,19(20,21)22)10-29-15-5-4-14(25-12(15)3)13-6-7-24-16(8-13)26-17(27)28/h4-8,11H,9-10,23H2,1-3H3,(H,24,26)(H,27,28)
InChIKeyFTHCZGIVVYWAAO-UHFFFAOYSA-N
MW412.41 g/mol
LogP4.23
Rot. Bonds7

About [4-[5-[2-amino-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid

[4-[5-[2-amino-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid (PubChem CID 146190512) has the molecular formula C19H23F3N4O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is [4-[5-[2-amino-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[4-[5-[2-amino-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid
PubChem CID146190512
Molecular FormulaC19H23F3N4O3
Molecular Weight412.41 g/mol
Exact Mass412.17
IUPAC Name[4-[5-[2-amino-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid
SMILESCc1nc(-c2ccnc(NC(=O)O)c2)ccc1OCC(N)(CC(C)C)C(F)(F)F
InChIInChI=1S/C19H23F3N4O3/c1-11(2)9-18(23,19(20,21)22)10-29-15-5-4-14(25-12(15)3)13-6-7-24-16(8-13)26-17(27)28/h4-8,11H,9-10,23H2,1-3H3,(H,24,26)(H,27,28)
InChIKeyFTHCZGIVVYWAAO-UHFFFAOYSA-N
XLogP4.23
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid
CID 118420194
[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid
CID 174234102
[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-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbutanamide
CID 137350684
2-acetamido-N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide
CID 137459402
N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(difluoromethyl)phenyl]-2-pyridinyl]acetamide
CID 118419714
N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-2H-triazole-4-carboxamide
CID 137459446
N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]cyclobutanecarboxamide
CID 137459458
[4-[4-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-3-(hydroxymethyl)phenyl]-2-pyridinyl]carbamic acid
CID 118420271
[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-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid?
The IUPAC name of [4-[5-[2-amino-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid (CID 146190512) is [4-[5-[2-amino-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [4-[5-[2-amino-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [4-[5-[2-amino-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid is Cc1nc(-c2ccnc(NC(=O)O)c2)ccc1OCC(N)(CC(C)C)C(F)(F)F.
What is the InChIKey of [4-[5-[2-amino-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid?
The InChIKey is FTHCZGIVVYWAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3/c1-11(2)9-18(23,19(20,21)22)10-29-15-5-4-14(25-12(15)3)13-6-7-24-16(8-13)26-17(27)28/h4-8,11H,9-10,23H2,1-3H3,(H,24,26)(H,27,28).
What are the key properties of [4-[5-[2-amino-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid?
[4-[5-[2-amino-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid has a molecular weight of 412.41 g/mol, XLogP of 4.23, 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-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 146190512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).