1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea

C18H25N5O — CID 97242365

IUPAC1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea
SMILESCCC[C@@H](NC(=O)NCc1cccc(N(C)C)n1)c1ccccn1
InChIInChI=1S/C18H25N5O/c1-4-8-16(15-10-5-6-12-19-15)22-18(24)20-13-14-9-7-11-17(21-14)23(2)3/h5-7,9-12,16H,4,8,13H2,1-3H3,(H2,20,22,24)/t16-/m1/s1
InChIKeyPFCXKEJGZHVLNA-MRXNPFEDSA-N
MW327.43 g/mol
LogP2.88
Rot. Bonds7

About 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea (PubChem CID 97242365) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea
PubChem CID97242365
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea
SMILESCCC[C@@H](NC(=O)NCc1cccc(N(C)C)n1)c1ccccn1
InChIInChI=1S/C18H25N5O/c1-4-8-16(15-10-5-6-12-19-15)22-18(24)20-13-14-9-7-11-17(21-14)23(2)3/h5-7,9-12,16H,4,8,13H2,1-3H3,(H2,20,22,24)/t16-/m1/s1
InChIKeyPFCXKEJGZHVLNA-MRXNPFEDSA-N
XLogP2.88
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea?
The IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea (CID 97242365) is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea.
What is the SMILES notation for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea?
The canonical SMILES for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea is CCC[C@@H](NC(=O)NCc1cccc(N(C)C)n1)c1ccccn1.
What is the InChIKey of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea?
The InChIKey is PFCXKEJGZHVLNA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-8-16(15-10-5-6-12-19-15)22-18(24)20-13-14-9-7-11-17(21-14)23(2)3/h5-7,9-12,16H,4,8,13H2,1-3H3,(H2,20,22,24)/t16-/m1/s1.
What are the key properties of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea?
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea has a molecular weight of 327.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea is sourced from PubChem (CID 97242365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).