N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide

C26H35N5O2 — CID 54769063

IUPACN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCC(CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cn1
InChIInChI=1S/C26H35N5O2/c1-19-2-5-21(18-28-19)26(32)29-22-6-3-20(4-7-22)9-12-30-13-15-31(16-14-30)25-23-10-17-33-24(23)8-11-27-25/h2,5,8,11,18,20,22H,3-4,6-7,9-10,12-17H2,1H3,(H,29,32)
InChIKeyUNPARBQWWULNRE-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.22
Rot. Bonds6

About N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide (PubChem CID 54769063) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide
PubChem CID54769063
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCC(CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cn1
InChIInChI=1S/C26H35N5O2/c1-19-2-5-21(18-28-19)26(32)29-22-6-3-20(4-7-22)9-12-30-13-15-31(16-14-30)25-23-10-17-33-24(23)8-11-27-25/h2,5,8,11,18,20,22H,3-4,6-7,9-10,12-17H2,1H3,(H,29,32)
InChIKeyUNPARBQWWULNRE-UHFFFAOYSA-N
XLogP3.22
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide (CID 54769063) is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NC2CCC(CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cn1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide?
The InChIKey is UNPARBQWWULNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-19-2-5-21(18-28-19)26(32)29-22-6-3-20(4-7-22)9-12-30-13-15-31(16-14-30)25-23-10-17-33-24(23)8-11-27-25/h2,5,8,11,18,20,22H,3-4,6-7,9-10,12-17H2,1H3,(H,29,32).
What are the key properties of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide?
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 54769063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).