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

C27H32N4O4 — CID 69446135

IUPAC[5-[(5-carbamoyl-2-pyridinyl)methoxymethyl]-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid
SMILESCc1ccc(-c2c(COCc3ccc(C(N)=O)cn3)c(C)nc(CC(C)C)c2CNC(=O)O)cc1
InChIInChI=1S/C27H32N4O4/c1-16(2)11-24-22(13-30-27(33)34)25(19-7-5-17(3)6-8-19)23(18(4)31-24)15-35-14-21-10-9-20(12-29-21)26(28)32/h5-10,12,16,30H,11,13-15H2,1-4H3,(H2,28,32)(H,33,34)
InChIKeySWFWTYUMEFWRCM-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.54
Rot. Bonds10

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

[5-[(5-carbamoyl-2-pyridinyl)methoxymethyl]-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid (PubChem CID 69446135) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is [5-[(5-carbamoyl-2-pyridinyl)methoxymethyl]-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid.

Molecular Properties

Compound Name[5-[(5-carbamoyl-2-pyridinyl)methoxymethyl]-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid
PubChem CID69446135
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name[5-[(5-carbamoyl-2-pyridinyl)methoxymethyl]-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid
SMILESCc1ccc(-c2c(COCc3ccc(C(N)=O)cn3)c(C)nc(CC(C)C)c2CNC(=O)O)cc1
InChIInChI=1S/C27H32N4O4/c1-16(2)11-24-22(13-30-27(33)34)25(19-7-5-17(3)6-8-19)23(18(4)31-24)15-35-14-21-10-9-20(12-29-21)26(28)32/h5-10,12,16,30H,11,13-15H2,1-4H3,(H2,28,32)(H,33,34)
InChIKeySWFWTYUMEFWRCM-UHFFFAOYSA-N
XLogP4.54
TPSA127.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(5-carbamoyl-2-pyridinyl)methoxymethyl]-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid?
The IUPAC name of [5-[(5-carbamoyl-2-pyridinyl)methoxymethyl]-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid (CID 69446135) is [5-[(5-carbamoyl-2-pyridinyl)methoxymethyl]-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid.
What is the SMILES notation for [5-[(5-carbamoyl-2-pyridinyl)methoxymethyl]-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid?
The canonical SMILES for [5-[(5-carbamoyl-2-pyridinyl)methoxymethyl]-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid is Cc1ccc(-c2c(COCc3ccc(C(N)=O)cn3)c(C)nc(CC(C)C)c2CNC(=O)O)cc1.
What is the InChIKey of [5-[(5-carbamoyl-2-pyridinyl)methoxymethyl]-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid?
The InChIKey is SWFWTYUMEFWRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-16(2)11-24-22(13-30-27(33)34)25(19-7-5-17(3)6-8-19)23(18(4)31-24)15-35-14-21-10-9-20(12-29-21)26(28)32/h5-10,12,16,30H,11,13-15H2,1-4H3,(H2,28,32)(H,33,34).
What are the key properties of [5-[(5-carbamoyl-2-pyridinyl)methoxymethyl]-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid?
[5-[(5-carbamoyl-2-pyridinyl)methoxymethyl]-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid has a molecular weight of 476.58 g/mol, XLogP of 4.54, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-carbamoyl-2-pyridinyl)methoxymethyl]-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid is sourced from PubChem (CID 69446135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).