N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide

C21H24N4O4 — CID 139464342

IUPACN-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCOCc1cc(-c2c[nH]c3cnc(NC(C)=O)cc23)nc(C2(OC)CCOC2)c1
InChIInChI=1S/C21H24N4O4/c1-13(26)24-20-8-15-16(9-22-18(15)10-23-20)17-6-14(11-27-2)7-19(25-17)21(28-3)4-5-29-12-21/h6-10,22H,4-5,11-12H2,1-3H3,(H,23,24,26)
InChIKeyKVMOWSPLXMRTQD-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.99
Rot. Bonds6

About N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 139464342) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID139464342
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCOCc1cc(-c2c[nH]c3cnc(NC(C)=O)cc23)nc(C2(OC)CCOC2)c1
InChIInChI=1S/C21H24N4O4/c1-13(26)24-20-8-15-16(9-22-18(15)10-23-20)17-6-14(11-27-2)7-19(25-17)21(28-3)4-5-29-12-21/h6-10,22H,4-5,11-12H2,1-3H3,(H,23,24,26)
InChIKeyKVMOWSPLXMRTQD-UHFFFAOYSA-N
XLogP2.99
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(2-hydroxyethoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464360
N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464646
N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464914
[3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
CID 139464758
N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
CID 152573786
3-[4-(methoxymethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-N,1-dimethylpyrrolo[2,3-c]pyridin-5-amine
CID 139504147
tert-butyl 5-acetamido-3-[4-[(3S)-3-hydroxybutoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-1-carboxylate;N-[3-[4-[(3S)-3-hydroxybutoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139485182
tert-butyl 5-acetamido-3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-1-carboxylate;N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139485183
N-[3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-propoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139482485
N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464816
N-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide
CID 163377508
N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 168876970

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 139464342) is N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide is COCc1cc(-c2c[nH]c3cnc(NC(C)=O)cc23)nc(C2(OC)CCOC2)c1.
What is the InChIKey of N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is KVMOWSPLXMRTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-13(26)24-20-8-15-16(9-22-18(15)10-23-20)17-6-14(11-27-2)7-19(25-17)21(28-3)4-5-29-12-21/h6-10,22H,4-5,11-12H2,1-3H3,(H,23,24,26).
What are the key properties of N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 396.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 139464342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).