N'-amino-4-[2-[3,5-dichloro-2-oxo-6-(pyrrolidin-1-ylmethyl)-1-pyridinyl]ethyl]benzenecarboximidamide

C19H23Cl2N5O — CID 143913870

IUPACN'-amino-4-[2-[3,5-dichloro-2-oxo-6-(pyrrolidin-1-ylmethyl)-1-pyridinyl]ethyl]benzenecarboximidamide
SMILESN/N=C(\N)c1ccc(CCn2c(CN3CCCC3)c(Cl)cc(Cl)c2=O)cc1
InChIInChI=1S/C19H23Cl2N5O/c20-15-11-16(21)19(27)26(17(15)12-25-8-1-2-9-25)10-7-13-3-5-14(6-4-13)18(22)24-23/h3-6,11H,1-2,7-10,12,23H2,(H2,22,24)
InChIKeyWLDNWSWNPVILSF-UHFFFAOYSA-N
MW408.33 g/mol
LogP2.57
Rot. Bonds6

About N'-amino-4-[2-[3,5-dichloro-2-oxo-6-(pyrrolidin-1-ylmethyl)-1-pyridinyl]ethyl]benzenecarboximidamide

N'-amino-4-[2-[3,5-dichloro-2-oxo-6-(pyrrolidin-1-ylmethyl)-1-pyridinyl]ethyl]benzenecarboximidamide (PubChem CID 143913870) has the molecular formula C19H23Cl2N5O and a molecular weight of 408.33 g/mol. Its IUPAC name is N'-amino-4-[2-[3,5-dichloro-2-oxo-6-(pyrrolidin-1-ylmethyl)-1-pyridinyl]ethyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-4-[2-[3,5-dichloro-2-oxo-6-(pyrrolidin-1-ylmethyl)-1-pyridinyl]ethyl]benzenecarboximidamide
PubChem CID143913870
Molecular FormulaC19H23Cl2N5O
Molecular Weight408.33 g/mol
Exact Mass407.13
IUPAC NameN'-amino-4-[2-[3,5-dichloro-2-oxo-6-(pyrrolidin-1-ylmethyl)-1-pyridinyl]ethyl]benzenecarboximidamide
SMILESN/N=C(\N)c1ccc(CCn2c(CN3CCCC3)c(Cl)cc(Cl)c2=O)cc1
InChIInChI=1S/C19H23Cl2N5O/c20-15-11-16(21)19(27)26(17(15)12-25-8-1-2-9-25)10-7-13-3-5-14(6-4-13)18(22)24-23/h3-6,11H,1-2,7-10,12,23H2,(H2,22,24)
InChIKeyWLDNWSWNPVILSF-UHFFFAOYSA-N
XLogP2.57
TPSA89.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-6-{[(2S)-2-propylpyrrolidin-1-yl]methyl}-1-{2-[4-(1H-tetrazol-5-yl)phenyl]ethyl}pyridin-2(1H)-one
CID 44596147
3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]ethyl]pyridin-2-one
CID 58215972
4-[2-[3,5-dichloro-2-oxo-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-pyridinyl]ethyl]-N'-hydroxybenzenecarboximidamide
CID 58216131
4-[2-[3,5-dichloro-2-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-6-oxo-1-pyridinyl]ethyl]-N'-hydroxybenzenecarboximidamide
CID 58216160
4-[2-[3,5-dichloro-2-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-6-oxo-1-pyridinyl]ethyl]-N'-hydroxybenzenecarboximidamide
CID 87242137
4-[2-[3,5-dichloro-2-oxo-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-pyridinyl]ethyl]-N'-nitrosobenzenecarboximidamide
CID 88961521
4-[2-[3,5-dichloro-2-oxo-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-pyridinyl]ethyl]-N'-hydroxybenzenecarboximidamide
CID 123945621
3-[4-[2-[3,5-dichloro-2-oxo-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-pyridinyl]ethyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 136195349
3-[4-[2-[3,5-dichloro-2-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-6-oxo-1-pyridinyl]ethyl]phenyl]-4H-1,2,4-thiadiazol-5-one
CID 136195350
3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one
CID 141251140
3,5-dichloro-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyridin-2-one
CID 141251145
3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride
CID 141251147

Frequently Asked Questions

What is the IUPAC name of N'-amino-4-[2-[3,5-dichloro-2-oxo-6-(pyrrolidin-1-ylmethyl)-1-pyridinyl]ethyl]benzenecarboximidamide?
The IUPAC name of N'-amino-4-[2-[3,5-dichloro-2-oxo-6-(pyrrolidin-1-ylmethyl)-1-pyridinyl]ethyl]benzenecarboximidamide (CID 143913870) is N'-amino-4-[2-[3,5-dichloro-2-oxo-6-(pyrrolidin-1-ylmethyl)-1-pyridinyl]ethyl]benzenecarboximidamide.
What is the SMILES notation for N'-amino-4-[2-[3,5-dichloro-2-oxo-6-(pyrrolidin-1-ylmethyl)-1-pyridinyl]ethyl]benzenecarboximidamide?
The canonical SMILES for N'-amino-4-[2-[3,5-dichloro-2-oxo-6-(pyrrolidin-1-ylmethyl)-1-pyridinyl]ethyl]benzenecarboximidamide is N/N=C(\N)c1ccc(CCn2c(CN3CCCC3)c(Cl)cc(Cl)c2=O)cc1.
What is the InChIKey of N'-amino-4-[2-[3,5-dichloro-2-oxo-6-(pyrrolidin-1-ylmethyl)-1-pyridinyl]ethyl]benzenecarboximidamide?
The InChIKey is WLDNWSWNPVILSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N5O/c20-15-11-16(21)19(27)26(17(15)12-25-8-1-2-9-25)10-7-13-3-5-14(6-4-13)18(22)24-23/h3-6,11H,1-2,7-10,12,23H2,(H2,22,24).
What are the key properties of N'-amino-4-[2-[3,5-dichloro-2-oxo-6-(pyrrolidin-1-ylmethyl)-1-pyridinyl]ethyl]benzenecarboximidamide?
N'-amino-4-[2-[3,5-dichloro-2-oxo-6-(pyrrolidin-1-ylmethyl)-1-pyridinyl]ethyl]benzenecarboximidamide has a molecular weight of 408.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-[2-[3,5-dichloro-2-oxo-6-(pyrrolidin-1-ylmethyl)-1-pyridinyl]ethyl]benzenecarboximidamide is sourced from PubChem (CID 143913870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).