N-[4-(cyclopentylcarbamoylamino)phenyl]-6-phenylpyridazine-4-carboxamide

C23H23N5O2 — CID 166324976

IUPACN-[4-(cyclopentylcarbamoylamino)phenyl]-6-phenylpyridazine-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cnnc(-c3ccccc3)c2)cc1)NC1CCCC1
InChIInChI=1S/C23H23N5O2/c29-22(17-14-21(28-24-15-17)16-6-2-1-3-7-16)25-19-10-12-20(13-11-19)27-23(30)26-18-8-4-5-9-18/h1-3,6-7,10-15,18H,4-5,8-9H2,(H,25,29)(H2,26,27,30)
InChIKeyRTQIYDZEZYLYKC-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.46
Rot. Bonds5

About N-[4-(cyclopentylcarbamoylamino)phenyl]-6-phenylpyridazine-4-carboxamide

N-[4-(cyclopentylcarbamoylamino)phenyl]-6-phenylpyridazine-4-carboxamide (PubChem CID 166324976) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[4-(cyclopentylcarbamoylamino)phenyl]-6-phenylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopentylcarbamoylamino)phenyl]-6-phenylpyridazine-4-carboxamide
PubChem CID166324976
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[4-(cyclopentylcarbamoylamino)phenyl]-6-phenylpyridazine-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cnnc(-c3ccccc3)c2)cc1)NC1CCCC1
InChIInChI=1S/C23H23N5O2/c29-22(17-14-21(28-24-15-17)16-6-2-1-3-7-16)25-19-10-12-20(13-11-19)27-23(30)26-18-8-4-5-9-18/h1-3,6-7,10-15,18H,4-5,8-9H2,(H,25,29)(H2,26,27,30)
InChIKeyRTQIYDZEZYLYKC-UHFFFAOYSA-N
XLogP4.46
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
5-N-cyclohexyl-3-N-phenylpyridine-3,5-dicarboxamide
CID 109103063
4-benzamido-N-cyclopentylbenzamide
CID 1262350
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
4-(cyclopropylcarbamoylamino)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 55991805
1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea
CID 27162469
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660
1-(oxepan-4-yl)-3-(2-phenylpyrimidin-5-yl)urea
CID 136520743
N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide
CID 52559092
1-cyclobutyl-3-(4-phenoxyphenyl)urea
CID 23959001
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylcarbamoylamino)phenyl]-6-phenylpyridazine-4-carboxamide?
The IUPAC name of N-[4-(cyclopentylcarbamoylamino)phenyl]-6-phenylpyridazine-4-carboxamide (CID 166324976) is N-[4-(cyclopentylcarbamoylamino)phenyl]-6-phenylpyridazine-4-carboxamide.
What is the SMILES notation for N-[4-(cyclopentylcarbamoylamino)phenyl]-6-phenylpyridazine-4-carboxamide?
The canonical SMILES for N-[4-(cyclopentylcarbamoylamino)phenyl]-6-phenylpyridazine-4-carboxamide is O=C(Nc1ccc(NC(=O)c2cnnc(-c3ccccc3)c2)cc1)NC1CCCC1.
What is the InChIKey of N-[4-(cyclopentylcarbamoylamino)phenyl]-6-phenylpyridazine-4-carboxamide?
The InChIKey is RTQIYDZEZYLYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-22(17-14-21(28-24-15-17)16-6-2-1-3-7-16)25-19-10-12-20(13-11-19)27-23(30)26-18-8-4-5-9-18/h1-3,6-7,10-15,18H,4-5,8-9H2,(H,25,29)(H2,26,27,30).
What are the key properties of N-[4-(cyclopentylcarbamoylamino)phenyl]-6-phenylpyridazine-4-carboxamide?
N-[4-(cyclopentylcarbamoylamino)phenyl]-6-phenylpyridazine-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylcarbamoylamino)phenyl]-6-phenylpyridazine-4-carboxamide is sourced from PubChem (CID 166324976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).