(E)-3-[6-[[(3R)-3-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide

C19H22N4O2 — CID 87789895

IUPAC(E)-3-[6-[[(3R)-3-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(N[C@]2(Cc3ccccc3)CCNC2)nc1)NO
InChIInChI=1S/C19H22N4O2/c24-18(23-25)9-7-16-6-8-17(21-13-16)22-19(10-11-20-14-19)12-15-4-2-1-3-5-15/h1-9,13,20,25H,10-12,14H2,(H,21,22)(H,23,24)/b9-7+/t19-/m0/s1
InChIKeyFRTLPEOUHRNIOT-XSBJJCPUSA-N
MW338.41 g/mol
LogP1.99
Rot. Bonds6

About (E)-3-[6-[[(3R)-3-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide

(E)-3-[6-[[(3R)-3-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide (PubChem CID 87789895) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-3-[6-[[(3R)-3-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[6-[[(3R)-3-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
PubChem CID87789895
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(E)-3-[6-[[(3R)-3-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(N[C@]2(Cc3ccccc3)CCNC2)nc1)NO
InChIInChI=1S/C19H22N4O2/c24-18(23-25)9-7-16-6-8-17(21-13-16)22-19(10-11-20-14-19)12-15-4-2-1-3-5-15/h1-9,13,20,25H,10-12,14H2,(H,21,22)(H,23,24)/b9-7+/t19-/m0/s1
InChIKeyFRTLPEOUHRNIOT-XSBJJCPUSA-N
XLogP1.99
TPSA86.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-3-(3-{6-[(3-aminopropyl)amino]pyrazin-2-yl}phenyl)prop-2-enoic acid
CID 24811592
(2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enamide
CID 25263224
5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3-yl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-1-methoxypyridin-2(1H)-one
CID 10046270
N-(6-Amino-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 10548542
(E)-3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 11610262
N-(2-aminophenyl)-3-(6-(benzylamino)pyridin-3-yl)acrylamide
CID 22478932
4-{[4'-(aminomethyl)biphenyl-4-yl]methyl}-1-hydroxy-1,8-naphthyridin-2(1H)-one
CID 44180293
2''-Cyclohexylamino-6-((R)-pyrrolidin-3-ylamino)[2,4'']bipyridinyl-4-carboxylic Acid Amide
CID 46899556
2''-Cyclohexylamino-6-((S)-pyrrolidin-3-ylamino)[2,4'']bipyridinyl-4-carboxylic Acid Amide
CID 46899557
4-[3'-(aminomethyl)biphenyl-3-yl]-1-hydroxy-1,8-naphthyridin-2(1H)-one
CID 49769738
4-{[4'-(aminomethyl)biphenyl-3-yl]methyl}-1-hydroxy-1,8-naphthyridin-2(1H)-one
CID 49769755
6-Oxo-3-(4-piperidin-1-ylmethyl-phenyl)-6,7-dihydro-9H-dipyrido[2,3-b;4',3'-d]pyrrole
CID 58266732

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-[[(3R)-3-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[6-[[(3R)-3-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide (CID 87789895) is (E)-3-[6-[[(3R)-3-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[6-[[(3R)-3-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[6-[[(3R)-3-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(N[C@]2(Cc3ccccc3)CCNC2)nc1)NO.
What is the InChIKey of (E)-3-[6-[[(3R)-3-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
The InChIKey is FRTLPEOUHRNIOT-XSBJJCPUSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(23-25)9-7-16-6-8-17(21-13-16)22-19(10-11-20-14-19)12-15-4-2-1-3-5-15/h1-9,13,20,25H,10-12,14H2,(H,21,22)(H,23,24)/b9-7+/t19-/m0/s1.
What are the key properties of (E)-3-[6-[[(3R)-3-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
(E)-3-[6-[[(3R)-3-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-[[(3R)-3-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 87789895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).