N,N,4-trimethyl-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]acetyl]indole-1-carboxamide

C26H30N6O2 — CID 10504086

IUPACN,N,4-trimethyl-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]acetyl]indole-1-carboxamide
SMILESCc1cccc2c1c(C(=O)CN1CCC(n3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C
InChIInChI=1S/C26H30N6O2/c1-17-6-5-7-23-25(17)20(15-31(23)26(34)29(3)4)24(33)16-30-12-9-19(10-13-30)32-18(2)28-21-14-27-11-8-22(21)32/h5-8,11,14-15,19H,9-10,12-13,16H2,1-4H3
InChIKeyJPNOFTWFUNXWBC-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.05
Rot. Bonds4

About N,N,4-trimethyl-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]acetyl]indole-1-carboxamide

N,N,4-trimethyl-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]acetyl]indole-1-carboxamide (PubChem CID 10504086) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N,N,4-trimethyl-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]acetyl]indole-1-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]acetyl]indole-1-carboxamide
PubChem CID10504086
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC NameN,N,4-trimethyl-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]acetyl]indole-1-carboxamide
SMILESCc1cccc2c1c(C(=O)CN1CCC(n3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C
InChIInChI=1S/C26H30N6O2/c1-17-6-5-7-23-25(17)20(15-31(23)26(34)29(3)4)24(33)16-30-12-9-19(10-13-30)32-18(2)28-21-14-27-11-8-22(21)32/h5-8,11,14-15,19H,9-10,12-13,16H2,1-4H3
InChIKeyJPNOFTWFUNXWBC-UHFFFAOYSA-N
XLogP4.05
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]acetyl]indole-1-carboxamide?
The IUPAC name of N,N,4-trimethyl-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]acetyl]indole-1-carboxamide (CID 10504086) is N,N,4-trimethyl-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]acetyl]indole-1-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]acetyl]indole-1-carboxamide?
The canonical SMILES for N,N,4-trimethyl-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]acetyl]indole-1-carboxamide is Cc1cccc2c1c(C(=O)CN1CCC(n3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]acetyl]indole-1-carboxamide?
The InChIKey is JPNOFTWFUNXWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-17-6-5-7-23-25(17)20(15-31(23)26(34)29(3)4)24(33)16-30-12-9-19(10-13-30)32-18(2)28-21-14-27-11-8-22(21)32/h5-8,11,14-15,19H,9-10,12-13,16H2,1-4H3.
What are the key properties of N,N,4-trimethyl-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]acetyl]indole-1-carboxamide?
N,N,4-trimethyl-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]acetyl]indole-1-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]acetyl]indole-1-carboxamide is sourced from PubChem (CID 10504086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).