N-[1-[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]ethyl]-5-(dimethylamino)pyridine-3-carboxamide

C23H30N6O — CID 171084438

IUPACN-[1-[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]ethyl]-5-(dimethylamino)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cncc(N(C)C)c1)c1cn2cc(CNCC3CCC3)ccc2n1
InChIInChI=1S/C23H30N6O/c1-16(26-23(30)19-9-20(28(2)3)13-25-12-19)21-15-29-14-18(7-8-22(29)27-21)11-24-10-17-5-4-6-17/h7-9,12-17,24H,4-6,10-11H2,1-3H3,(H,26,30)
InChIKeyVCBOWRXIFLDKER-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.18
Rot. Bonds8

About N-[1-[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]ethyl]-5-(dimethylamino)pyridine-3-carboxamide

N-[1-[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]ethyl]-5-(dimethylamino)pyridine-3-carboxamide (PubChem CID 171084438) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[1-[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]ethyl]-5-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]ethyl]-5-(dimethylamino)pyridine-3-carboxamide
PubChem CID171084438
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC NameN-[1-[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]ethyl]-5-(dimethylamino)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cncc(N(C)C)c1)c1cn2cc(CNCC3CCC3)ccc2n1
InChIInChI=1S/C23H30N6O/c1-16(26-23(30)19-9-20(28(2)3)13-25-12-19)21-15-29-14-18(7-8-22(29)27-21)11-24-10-17-5-4-6-17/h7-9,12-17,24H,4-6,10-11H2,1-3H3,(H,26,30)
InChIKeyVCBOWRXIFLDKER-UHFFFAOYSA-N
XLogP3.18
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]ethyl]-5-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[1-[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]ethyl]-5-(dimethylamino)pyridine-3-carboxamide (CID 171084438) is N-[1-[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]ethyl]-5-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]ethyl]-5-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]ethyl]-5-(dimethylamino)pyridine-3-carboxamide is CC(NC(=O)c1cncc(N(C)C)c1)c1cn2cc(CNCC3CCC3)ccc2n1.
What is the InChIKey of N-[1-[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]ethyl]-5-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is VCBOWRXIFLDKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-16(26-23(30)19-9-20(28(2)3)13-25-12-19)21-15-29-14-18(7-8-22(29)27-21)11-24-10-17-5-4-6-17/h7-9,12-17,24H,4-6,10-11H2,1-3H3,(H,26,30).
What are the key properties of N-[1-[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]ethyl]-5-(dimethylamino)pyridine-3-carboxamide?
N-[1-[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]ethyl]-5-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]ethyl]-5-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 171084438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).