5-(4-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide

C26H29N5O2 — CID 57393088

IUPAC5-(4-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESCN1CCN(CCCN(Cc2ccccn2)C(=O)c2ccc(-c3ccc(C#N)cc3)o2)CC1
InChIInChI=1S/C26H29N5O2/c1-29-15-17-30(18-16-29)13-4-14-31(20-23-5-2-3-12-28-23)26(32)25-11-10-24(33-25)22-8-6-21(19-27)7-9-22/h2-3,5-12H,4,13-18,20H2,1H3
InChIKeyPJYZHQNQPJJICP-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.49
Rot. Bonds8

About 5-(4-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide

5-(4-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide (PubChem CID 57393088) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
PubChem CID57393088
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name5-(4-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESCN1CCN(CCCN(Cc2ccccn2)C(=O)c2ccc(-c3ccc(C#N)cc3)o2)CC1
InChIInChI=1S/C26H29N5O2/c1-29-15-17-30(18-16-29)13-4-14-31(20-23-5-2-3-12-28-23)26(32)25-11-10-24(33-25)22-8-6-21(19-27)7-9-22/h2-3,5-12H,4,13-18,20H2,1H3
InChIKeyPJYZHQNQPJJICP-UHFFFAOYSA-N
XLogP3.49
TPSA76.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)thiourea
CID 5052134
N-[2-(dimethylamino)ethyl]-5-ethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 56783054
5-(4-cyanophenyl)-N-[(4-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide
CID 57401827
N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 54945083
N-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide
CID 134023402
5-(4-cyanophenyl)-N-(4-piperazin-1-ylphenyl)-N-[(2-pyridin-3-ylphenyl)methyl]furan-2-carboxamide
CID 57403552
3-(2-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)thiourea
CID 6621129
5-(4-cyanophenyl)furan-2-carbohydrazide
CID 91684313
N-[3-(4-methylpiperazin-1-yl)propyl]-N-[(2-phenylpyrazol-3-yl)methyl]quinoline-3-carboxamide
CID 3277033
5-(4-cyanophenyl)-N-[[2-(2-fluorophenyl)phenyl]methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide
CID 57401828
3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085672
4-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carbonyl]benzonitrile
CID 129343587

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide (CID 57393088) is 5-(4-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide is CN1CCN(CCCN(Cc2ccccn2)C(=O)c2ccc(-c3ccc(C#N)cc3)o2)CC1.
What is the InChIKey of 5-(4-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The InChIKey is PJYZHQNQPJJICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-29-15-17-30(18-16-29)13-4-14-31(20-23-5-2-3-12-28-23)26(32)25-11-10-24(33-25)22-8-6-21(19-27)7-9-22/h2-3,5-12H,4,13-18,20H2,1H3.
What are the key properties of 5-(4-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
5-(4-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 57393088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).