N-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide

C18H23N9O3 — CID 10237882

IUPACN-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide
SMILESCCn1c(-c2nonc2N)nc2cncc(C(=O)NC3CCN(C(=O)CN)CC3)c21
InChIInChI=1S/C18H23N9O3/c1-2-27-15-11(18(29)22-10-3-5-26(6-4-10)13(28)7-19)8-21-9-12(15)23-17(27)14-16(20)25-30-24-14/h8-10H,2-7,19H2,1H3,(H2,20,25)(H,22,29)
InChIKeyISXZVKOPHPGDGN-UHFFFAOYSA-N
MW413.44 g/mol
LogP-0.24
Rot. Bonds5

About N-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide

N-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 10237882) has the molecular formula C18H23N9O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide
PubChem CID10237882
Molecular FormulaC18H23N9O3
Molecular Weight413.44 g/mol
Exact Mass413.19
IUPAC NameN-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide
SMILESCCn1c(-c2nonc2N)nc2cncc(C(=O)NC3CCN(C(=O)CN)CC3)c21
InChIInChI=1S/C18H23N9O3/c1-2-27-15-11(18(29)22-10-3-5-26(6-4-10)13(28)7-19)8-21-9-12(15)23-17(27)14-16(20)25-30-24-14/h8-10H,2-7,19H2,1H3,(H2,20,25)(H,22,29)
InChIKeyISXZVKOPHPGDGN-UHFFFAOYSA-N
XLogP-0.24
TPSA171.08 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(oxan-4-yl)imidazo[4,5-c]pyridine-7-carboxamide
CID 11428274
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridine-7-carboxamide
CID 69157916
[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-(4-aminopiperidin-1-yl)methanone
CID 11152477
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-piperidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide
CID 69158423
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid
CID 69157882
[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone
CID 69199358
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine-7-carboxamide
CID 11485067
[4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride
CID 131726812
4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11258275
1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine
CID 173211841
4-(7-anilino-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 59681825
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide
CID 68898817

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of N-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide (CID 10237882) is N-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for N-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide is CCn1c(-c2nonc2N)nc2cncc(C(=O)NC3CCN(C(=O)CN)CC3)c21.
What is the InChIKey of N-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide?
The InChIKey is ISXZVKOPHPGDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N9O3/c1-2-27-15-11(18(29)22-10-3-5-26(6-4-10)13(28)7-19)8-21-9-12(15)23-17(27)14-16(20)25-30-24-14/h8-10H,2-7,19H2,1H3,(H2,20,25)(H,22,29).
What are the key properties of N-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide?
N-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 413.44 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 10237882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).