2-chloro-N-[[1-(6-methoxy-2-pyridinyl)piperidin-3-yl]methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide

C19H21ClN4O3 — CID 167878236

IUPAC2-chloro-N-[[1-(6-methoxy-2-pyridinyl)piperidin-3-yl]methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESCOc1cccc(N2CCCC(CNC(=O)c3cc4oc(Cl)cc4[nH]3)C2)n1
InChIInChI=1S/C19H21ClN4O3/c1-26-18-6-2-5-17(23-18)24-7-3-4-12(11-24)10-21-19(25)14-8-15-13(22-14)9-16(20)27-15/h2,5-6,8-9,12,22H,3-4,7,10-11H2,1H3,(H,21,25)
InChIKeyCIYLYPACUZIRLQ-UHFFFAOYSA-N
MW388.86 g/mol
LogP3.46
Rot. Bonds5

About 2-chloro-N-[[1-(6-methoxy-2-pyridinyl)piperidin-3-yl]methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide

2-chloro-N-[[1-(6-methoxy-2-pyridinyl)piperidin-3-yl]methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 167878236) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 2-chloro-N-[[1-(6-methoxy-2-pyridinyl)piperidin-3-yl]methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(6-methoxy-2-pyridinyl)piperidin-3-yl]methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
PubChem CID167878236
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name2-chloro-N-[[1-(6-methoxy-2-pyridinyl)piperidin-3-yl]methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESCOc1cccc(N2CCCC(CNC(=O)c3cc4oc(Cl)cc4[nH]3)C2)n1
InChIInChI=1S/C19H21ClN4O3/c1-26-18-6-2-5-17(23-18)24-7-3-4-12(11-24)10-21-19(25)14-8-15-13(22-14)9-16(20)27-15/h2,5-6,8-9,12,22H,3-4,7,10-11H2,1H3,(H,21,25)
InChIKeyCIYLYPACUZIRLQ-UHFFFAOYSA-N
XLogP3.46
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(6-methoxy-2-pyridinyl)piperidin-3-yl]methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-chloro-N-[[1-(6-methoxy-2-pyridinyl)piperidin-3-yl]methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide (CID 167878236) is 2-chloro-N-[[1-(6-methoxy-2-pyridinyl)piperidin-3-yl]methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[[1-(6-methoxy-2-pyridinyl)piperidin-3-yl]methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[[1-(6-methoxy-2-pyridinyl)piperidin-3-yl]methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide is COc1cccc(N2CCCC(CNC(=O)c3cc4oc(Cl)cc4[nH]3)C2)n1.
What is the InChIKey of 2-chloro-N-[[1-(6-methoxy-2-pyridinyl)piperidin-3-yl]methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is CIYLYPACUZIRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-26-18-6-2-5-17(23-18)24-7-3-4-12(11-24)10-21-19(25)14-8-15-13(22-14)9-16(20)27-15/h2,5-6,8-9,12,22H,3-4,7,10-11H2,1H3,(H,21,25).
What are the key properties of 2-chloro-N-[[1-(6-methoxy-2-pyridinyl)piperidin-3-yl]methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
2-chloro-N-[[1-(6-methoxy-2-pyridinyl)piperidin-3-yl]methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(6-methoxy-2-pyridinyl)piperidin-3-yl]methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 167878236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).