N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide

C22H22N4O3 — CID 30266978

IUPACN-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C22H22N4O3/c1-15-6-7-16(13-18(15)25-22(28)19-5-4-12-29-19)21(27)24-17-8-9-20(23-14-17)26-10-2-3-11-26/h4-9,12-14H,2-3,10-11H2,1H3,(H,24,27)(H,25,28)
InChIKeyGOXOUJDBZUHETH-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.09
Rot. Bonds5

About N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide

N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 30266978) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID30266978
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C22H22N4O3/c1-15-6-7-16(13-18(15)25-22(28)19-5-4-12-29-19)21(27)24-17-8-9-20(23-14-17)26-10-2-3-11-26/h4-9,12-14H,2-3,10-11H2,1H3,(H,24,27)(H,25,28)
InChIKeyGOXOUJDBZUHETH-UHFFFAOYSA-N
XLogP4.09
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 18144018
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041971
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 113014476
N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 42856931
N-[5-(1H-indazol-5-ylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 51329615
N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide
CID 30267377
N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18157076
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-carboxamide
CID 71789966
N-[6-(4-pentanoylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42849956
N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 75512395
N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42857295

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide (CID 30266978) is N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is GOXOUJDBZUHETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15-6-7-16(13-18(15)25-22(28)19-5-4-12-29-19)21(27)24-17-8-9-20(23-14-17)26-10-2-3-11-26/h4-9,12-14H,2-3,10-11H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide?
N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 30266978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).