N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide

C19H19N5OS — CID 122354646

IUPACN-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1)c1ccsc1
InChIInChI=1S/C19H19N5OS/c25-19(14-7-10-26-13-14)22-16-5-3-15(4-6-16)21-18-11-17(12-20-23-18)24-8-1-2-9-24/h3-7,10-13H,1-2,8-9H2,(H,21,23)(H,22,25)
InChIKeyOIPWQCJIAHMGCG-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.13
Rot. Bonds5

About N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide

N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide (PubChem CID 122354646) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide
PubChem CID122354646
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC NameN-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1)c1ccsc1
InChIInChI=1S/C19H19N5OS/c25-19(14-7-10-26-13-14)22-16-5-3-15(4-6-16)21-18-11-17(12-20-23-18)24-8-1-2-9-24/h3-7,10-13H,1-2,8-9H2,(H,21,23)(H,22,25)
InChIKeyOIPWQCJIAHMGCG-UHFFFAOYSA-N
XLogP4.13
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354511
1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea
CID 122354873
4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355270
N-(5-pyrrolidin-1-yl-2-pyridinyl)thiophene-3-carboxamide
CID 32949158
1-(4-ethoxyphenyl)-3-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354587
3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354917
2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122354566
3-(2-chlorophenyl)-5-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122354878
4-ethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354914
N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122354695
N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide
CID 9303445
3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122354772

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide (CID 122354646) is N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide is O=C(Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1)c1ccsc1.
What is the InChIKey of N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide?
The InChIKey is OIPWQCJIAHMGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c25-19(14-7-10-26-13-14)22-16-5-3-15(4-6-16)21-18-11-17(12-20-23-18)24-8-1-2-9-24/h3-7,10-13H,1-2,8-9H2,(H,21,23)(H,22,25).
What are the key properties of N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide?
N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 122354646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).