N,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide

C21H22N6O4 — CID 167637658

IUPACN,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCc1nc(-c2ccnc(-c3cc4cc(C(=O)N(CCO)CCO)n(C)c4cn3)c2)no1
InChIInChI=1S/C21H22N6O4/c1-13-24-20(25-31-13)14-3-4-22-16(9-14)17-10-15-11-18(26(2)19(15)12-23-17)21(30)27(5-7-28)6-8-29/h3-4,9-12,28-29H,5-8H2,1-2H3
InChIKeyRWJHLCCMQTVOHR-UHFFFAOYSA-N
MW422.45 g/mol
LogP1.42
Rot. Bonds7

About N,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide

N,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167637658) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID167637658
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC NameN,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCc1nc(-c2ccnc(-c3cc4cc(C(=O)N(CCO)CCO)n(C)c4cn3)c2)no1
InChIInChI=1S/C21H22N6O4/c1-13-24-20(25-31-13)14-3-4-22-16(9-14)17-10-15-11-18(26(2)19(15)12-23-17)21(30)27(5-7-28)6-8-29/h3-4,9-12,28-29H,5-8H2,1-2H3
InChIKeyRWJHLCCMQTVOHR-UHFFFAOYSA-N
XLogP1.42
TPSA130.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167637658) is N,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide is Cc1nc(-c2ccnc(-c3cc4cc(C(=O)N(CCO)CCO)n(C)c4cn3)c2)no1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is RWJHLCCMQTVOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O4/c1-13-24-20(25-31-13)14-3-4-22-16(9-14)17-10-15-11-18(26(2)19(15)12-23-17)21(30)27(5-7-28)6-8-29/h3-4,9-12,28-29H,5-8H2,1-2H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide?
N,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167637658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).