N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C21H21N5O2 — CID 99874453

IUPACN-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NC[C@H]1CCCN1c1nc2ccccc2o1
InChIInChI=1S/C21H21N5O2/c1-14-19(26-11-5-4-10-18(26)23-14)20(27)22-13-15-7-6-12-25(15)21-24-16-8-2-3-9-17(16)28-21/h2-5,8-11,15H,6-7,12-13H2,1H3,(H,22,27)/t15-/m1/s1
InChIKeyRPXAUFUTJZBBGT-OAHLLOKOSA-N
MW375.43 g/mol
LogP3.18
Rot. Bonds4

About N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 99874453) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID99874453
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NC[C@H]1CCCN1c1nc2ccccc2o1
InChIInChI=1S/C21H21N5O2/c1-14-19(26-11-5-4-10-18(26)23-14)20(27)22-13-15-7-6-12-25(15)21-24-16-8-2-3-9-17(16)28-21/h2-5,8-11,15H,6-7,12-13H2,1H3,(H,22,27)/t15-/m1/s1
InChIKeyRPXAUFUTJZBBGT-OAHLLOKOSA-N
XLogP3.18
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 99874453) is N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)NC[C@H]1CCCN1c1nc2ccccc2o1.
What is the InChIKey of N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RPXAUFUTJZBBGT-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-19(26-11-5-4-10-18(26)23-14)20(27)22-13-15-7-6-12-25(15)21-24-16-8-2-3-9-17(16)28-21/h2-5,8-11,15H,6-7,12-13H2,1H3,(H,22,27)/t15-/m1/s1.
What are the key properties of N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 99874453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).