4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide

C22H25ClN4O2 — CID 53079750

IUPAC4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)NCCCN3CCCC3)cc3occc23)cc1Cl
InChIInChI=1S/C22H25ClN4O2/c1-15-5-6-16(13-18(15)23)25-21-17-7-12-29-20(17)14-19(26-21)22(28)24-8-4-11-27-9-2-3-10-27/h5-7,12-14H,2-4,8-11H2,1H3,(H,24,28)(H,25,26)
InChIKeyLTBSSTZJFGMJPN-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.75
Rot. Bonds7

About 4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide

4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide (PubChem CID 53079750) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide
PubChem CID53079750
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)NCCCN3CCCC3)cc3occc23)cc1Cl
InChIInChI=1S/C22H25ClN4O2/c1-15-5-6-16(13-18(15)23)25-21-17-7-12-29-20(17)14-19(26-21)22(28)24-8-4-11-27-9-2-3-10-27/h5-7,12-14H,2-4,8-11H2,1H3,(H,24,28)(H,25,26)
InChIKeyLTBSSTZJFGMJPN-UHFFFAOYSA-N
XLogP4.75
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide
CID 53079749
4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide
CID 53079738
N-[3-(azepan-1-yl)butyl]-4-(4-bromo-3-methylanilino)furo[3,2-c]pyridine-6-carboxamide
CID 53079843
4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide
CID 53079613
1-(3-chloro-4-methylanilino)-N-[3-(4-ethylpiperazin-1-yl)propyl]isoquinoline-4-carboxamide
CID 22334402
4-chloro-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
CID 139188850
6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365263
2-(3-chloro-4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312124
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide
CID 106686542
6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115731
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 58945427

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of 4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide (CID 53079750) is 4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide is Cc1ccc(Nc2nc(C(=O)NCCCN3CCCC3)cc3occc23)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide?
The InChIKey is LTBSSTZJFGMJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-15-5-6-16(13-18(15)23)25-21-17-7-12-29-20(17)14-19(26-21)22(28)24-8-4-11-27-9-2-3-10-27/h5-7,12-14H,2-4,8-11H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide?
4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide has a molecular weight of 412.92 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 53079750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).