[5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid

C20H26N4O3 — CID 69446209

IUPAC[5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid
SMILESCc1ccc(-c2c(CNC(=O)O)c(CC(C)C)nc(C)c2NC(N)=O)cc1
InChIInChI=1S/C20H26N4O3/c1-11(2)9-16-15(10-22-20(26)27)17(14-7-5-12(3)6-8-14)18(13(4)23-16)24-19(21)25/h5-8,11,22H,9-10H2,1-4H3,(H,26,27)(H3,21,24,25)
InChIKeyDPKRMAUNMSLXQJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.82
Rot. Bonds6

About [5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid

[5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid (PubChem CID 69446209) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is [5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid.

Molecular Properties

Compound Name[5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid
PubChem CID69446209
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name[5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid
SMILESCc1ccc(-c2c(CNC(=O)O)c(CC(C)C)nc(C)c2NC(N)=O)cc1
InChIInChI=1S/C20H26N4O3/c1-11(2)9-16-15(10-22-20(26)27)17(14-7-5-12(3)6-8-14)18(13(4)23-16)24-19(21)25/h5-8,11,22H,9-10H2,1-4H3,(H,26,27)(H3,21,24,25)
InChIKeyDPKRMAUNMSLXQJ-UHFFFAOYSA-N
XLogP3.82
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea
CID 174512378
3-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-1,1-dimethylurea
CID 69446296
[5-[(4-carbamoylphenyl)sulfanylmethyl]-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid
CID 69448861
[5-[2-(2-bromophenyl)ethenyl]-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid
CID 69448785
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide
CID 69444575
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-2,5-dimethylfuran-3-carboxamide
CID 69444483
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide
CID 69443877
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 69443335
[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-5-[2-(3-methylsulfonylanilino)-2-oxoethyl]-3-pyridinyl]methylcarbamic acid
CID 68916260
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride
CID 69449207
[5-(2-amino-2-oxoethyl)-2-(2,2-dimethylpropyl)-6-methyl-4-(4-methylphenyl)-3-pyridinyl]methylcarbamic acid
CID 69443424
4-N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 174512400

Frequently Asked Questions

What is the IUPAC name of [5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid?
The IUPAC name of [5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid (CID 69446209) is [5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid.
What is the SMILES notation for [5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid?
The canonical SMILES for [5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid is Cc1ccc(-c2c(CNC(=O)O)c(CC(C)C)nc(C)c2NC(N)=O)cc1.
What is the InChIKey of [5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid?
The InChIKey is DPKRMAUNMSLXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-11(2)9-16-15(10-22-20(26)27)17(14-7-5-12(3)6-8-14)18(13(4)23-16)24-19(21)25/h5-8,11,22H,9-10H2,1-4H3,(H,26,27)(H3,21,24,25).
What are the key properties of [5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid?
[5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid has a molecular weight of 370.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid is sourced from PubChem (CID 69446209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).