1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea

C19H24N4O2 — CID 51957688

IUPAC1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea
SMILESCc1ccc(NCCCNC(=O)N[C@@H]2CCOc3ccccc32)nc1
InChIInChI=1S/C19H24N4O2/c1-14-7-8-18(22-13-14)20-10-4-11-21-19(24)23-16-9-12-25-17-6-3-2-5-15(16)17/h2-3,5-8,13,16H,4,9-12H2,1H3,(H,20,22)(H2,21,23,24)/t16-/m1/s1
InChIKeyYOAHXEWBPUYEKC-MRXNPFEDSA-N
MW340.43 g/mol
LogP3.02
Rot. Bonds6

About 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea

1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea (PubChem CID 51957688) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea.

Molecular Properties

Compound Name1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea
PubChem CID51957688
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea
SMILESCc1ccc(NCCCNC(=O)N[C@@H]2CCOc3ccccc32)nc1
InChIInChI=1S/C19H24N4O2/c1-14-7-8-18(22-13-14)20-10-4-11-21-19(24)23-16-9-12-25-17-6-3-2-5-15(16)17/h2-3,5-8,13,16H,4,9-12H2,1H3,(H,20,22)(H2,21,23,24)/t16-/m1/s1
InChIKeyYOAHXEWBPUYEKC-MRXNPFEDSA-N
XLogP3.02
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea with MolForge

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Related Compounds

1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 94055209
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxyethyl)urea
CID 97083391
1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea
CID 110866006
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936462
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94026794
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 110866066
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-phenylprop-2-ynyl)urea
CID 51077520
N-(3,4-dihydro-2H-chromen-4-yl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375415
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 94156371
ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
CID 62365066
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
CID 110866349

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea?
The IUPAC name of 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea (CID 51957688) is 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea.
What is the SMILES notation for 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea?
The canonical SMILES for 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea is Cc1ccc(NCCCNC(=O)N[C@@H]2CCOc3ccccc32)nc1.
What is the InChIKey of 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea?
The InChIKey is YOAHXEWBPUYEKC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-7-8-18(22-13-14)20-10-4-11-21-19(24)23-16-9-12-25-17-6-3-2-5-15(16)17/h2-3,5-8,13,16H,4,9-12H2,1H3,(H,20,22)(H2,21,23,24)/t16-/m1/s1.
What are the key properties of 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea?
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea has a molecular weight of 340.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea is sourced from PubChem (CID 51957688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).