[3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid

C25H26N4O3 — CID 146371072

IUPAC[3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid
SMILESCc1ccnc(C(NC(=O)c2cc(CNC(=O)O)cc(-c3cnccc3C)c2)C2CC2)c1
InChIInChI=1S/C25H26N4O3/c1-15-5-8-27-22(9-15)23(18-3-4-18)29-24(30)20-11-17(13-28-25(31)32)10-19(12-20)21-14-26-7-6-16(21)2/h5-12,14,18,23,28H,3-4,13H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyYVIWEKOTCVLXCJ-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.41
Rot. Bonds7

About [3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid

[3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid (PubChem CID 146371072) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is [3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid
PubChem CID146371072
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name[3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid
SMILESCc1ccnc(C(NC(=O)c2cc(CNC(=O)O)cc(-c3cnccc3C)c2)C2CC2)c1
InChIInChI=1S/C25H26N4O3/c1-15-5-8-27-22(9-15)23(18-3-4-18)29-24(30)20-11-17(13-28-25(31)32)10-19(12-20)21-14-26-7-6-16(21)2/h5-12,14,18,23,28H,3-4,13H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyYVIWEKOTCVLXCJ-UHFFFAOYSA-N
XLogP4.41
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide
CID 146455897
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(3-methoxy-4-pyridinyl)benzamide
CID 146455893
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 125444561
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide
CID 77085408
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 125439959
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(2-methyl-4-pyridinyl)benzamide
CID 146457659
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide
CID 95554873
[1-[[3-(cyclopropylmethoxy)-5-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]phenyl]methyl]-3-methylimidazol-2-ylidene]carbamic acid
CID 146456398
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide
CID 125157109
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide
CID 125436602
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 122561176
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 74236477

Frequently Asked Questions

What is the IUPAC name of [3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid?
The IUPAC name of [3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid (CID 146371072) is [3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid.
What is the SMILES notation for [3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid?
The canonical SMILES for [3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid is Cc1ccnc(C(NC(=O)c2cc(CNC(=O)O)cc(-c3cnccc3C)c2)C2CC2)c1.
What is the InChIKey of [3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid?
The InChIKey is YVIWEKOTCVLXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-15-5-8-27-22(9-15)23(18-3-4-18)29-24(30)20-11-17(13-28-25(31)32)10-19(12-20)21-14-26-7-6-16(21)2/h5-12,14,18,23,28H,3-4,13H2,1-2H3,(H,29,30)(H,31,32).
What are the key properties of [3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid?
[3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid has a molecular weight of 430.51 g/mol, XLogP of 4.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid is sourced from PubChem (CID 146371072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).