2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide

C20H26N6O3 — CID 154994710

IUPAC2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide
SMILES[H]/N=c1\cc(N2CCOc3cc(C(=O)N4CCCC4)[nH]c32)ccn1C(=O)NC(C)C
InChIInChI=1S/C20H26N6O3/c1-13(2)22-20(28)26-8-5-14(11-17(26)21)25-9-10-29-16-12-15(23-18(16)25)19(27)24-6-3-4-7-24/h5,8,11-13,21,23H,3-4,6-7,9-10H2,1-2H3,(H,22,28)/b21-17+
InChIKeyNVCFPWUTXFZTLY-HEHNFIMWSA-N
MW398.47 g/mol
LogP2.03
Rot. Bonds3

About 2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide

2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide (PubChem CID 154994710) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide.

Molecular Properties

Compound Name2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide
PubChem CID154994710
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide
SMILES[H]/N=c1\cc(N2CCOc3cc(C(=O)N4CCCC4)[nH]c32)ccn1C(=O)NC(C)C
InChIInChI=1S/C20H26N6O3/c1-13(2)22-20(28)26-8-5-14(11-17(26)21)25-9-10-29-16-12-15(23-18(16)25)19(27)24-6-3-4-7-24/h5,8,11-13,21,23H,3-4,6-7,9-10H2,1-2H3,(H,22,28)/b21-17+
InChIKeyNVCFPWUTXFZTLY-HEHNFIMWSA-N
XLogP2.03
TPSA106.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-iodo-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzoic acid
CID 154994306
[4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
CID 154994314
N,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide
CID 166887026
(2Z)-2-(methylhydrazinylidene)-4-[6-(1-oxa-8-azaspiro[3.5]nonane-8-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
CID 154995070
4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide
CID 166887531
1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one
CID 166886766
1-[2-imino-1-(methylcarbamoyl)-4-pyridinyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxylic acid
CID 154994799
ethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate
CID 166886924
[3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 154995158
4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3-methylbenzoic acid
CID 154994272
[7-[3-methyl-4-(methyldiazenyl)phenyl]-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 154994240
1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one
CID 166886748

Frequently Asked Questions

What is the IUPAC name of 2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide?
The IUPAC name of 2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide (CID 154994710) is 2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide.
What is the SMILES notation for 2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide?
The canonical SMILES for 2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide is [H]/N=c1\cc(N2CCOc3cc(C(=O)N4CCCC4)[nH]c32)ccn1C(=O)NC(C)C.
What is the InChIKey of 2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide?
The InChIKey is NVCFPWUTXFZTLY-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-13(2)22-20(28)26-8-5-14(11-17(26)21)25-9-10-29-16-12-15(23-18(16)25)19(27)24-6-3-4-7-24/h5,8,11-13,21,23H,3-4,6-7,9-10H2,1-2H3,(H,22,28)/b21-17+.
What are the key properties of 2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide?
2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide is sourced from PubChem (CID 154994710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).