7-methyl-N-[1-[1-[3-(oxan-3-yl)propanoyl]azetidin-3-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide

C22H30N4O3 — CID 154799464

IUPAC7-methyl-N-[1-[1-[3-(oxan-3-yl)propanoyl]azetidin-3-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2cc(C(=O)NC(C)C3CN(C(=O)CCC4CCCOC4)C3)nc2c1
InChIInChI=1S/C22H30N4O3/c1-15-7-8-25-13-19(24-20(25)10-15)22(28)23-16(2)18-11-26(12-18)21(27)6-5-17-4-3-9-29-14-17/h7-8,10,13,16-18H,3-6,9,11-12,14H2,1-2H3,(H,23,28)
InChIKeyJQAKZBNVWOCIMI-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.43
Rot. Bonds6

About 7-methyl-N-[1-[1-[3-(oxan-3-yl)propanoyl]azetidin-3-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide

7-methyl-N-[1-[1-[3-(oxan-3-yl)propanoyl]azetidin-3-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 154799464) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 7-methyl-N-[1-[1-[3-(oxan-3-yl)propanoyl]azetidin-3-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[1-[1-[3-(oxan-3-yl)propanoyl]azetidin-3-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID154799464
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name7-methyl-N-[1-[1-[3-(oxan-3-yl)propanoyl]azetidin-3-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2cc(C(=O)NC(C)C3CN(C(=O)CCC4CCCOC4)C3)nc2c1
InChIInChI=1S/C22H30N4O3/c1-15-7-8-25-13-19(24-20(25)10-15)22(28)23-16(2)18-11-26(12-18)21(27)6-5-17-4-3-9-29-14-17/h7-8,10,13,16-18H,3-6,9,11-12,14H2,1-2H3,(H,23,28)
InChIKeyJQAKZBNVWOCIMI-UHFFFAOYSA-N
XLogP2.43
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[1-[1-[3-(oxan-3-yl)propanoyl]azetidin-3-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 7-methyl-N-[1-[1-[3-(oxan-3-yl)propanoyl]azetidin-3-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 154799464) is 7-methyl-N-[1-[1-[3-(oxan-3-yl)propanoyl]azetidin-3-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[1-[1-[3-(oxan-3-yl)propanoyl]azetidin-3-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 7-methyl-N-[1-[1-[3-(oxan-3-yl)propanoyl]azetidin-3-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1ccn2cc(C(=O)NC(C)C3CN(C(=O)CCC4CCCOC4)C3)nc2c1.
What is the InChIKey of 7-methyl-N-[1-[1-[3-(oxan-3-yl)propanoyl]azetidin-3-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is JQAKZBNVWOCIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-15-7-8-25-13-19(24-20(25)10-15)22(28)23-16(2)18-11-26(12-18)21(27)6-5-17-4-3-9-29-14-17/h7-8,10,13,16-18H,3-6,9,11-12,14H2,1-2H3,(H,23,28).
What are the key properties of 7-methyl-N-[1-[1-[3-(oxan-3-yl)propanoyl]azetidin-3-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
7-methyl-N-[1-[1-[3-(oxan-3-yl)propanoyl]azetidin-3-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[1-[1-[3-(oxan-3-yl)propanoyl]azetidin-3-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 154799464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).