(2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide

C18H22N4O3 — CID 122159596

IUPAC(2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide
SMILESC[C@H](NC(=O)Nc1ccnc(OCc2ccccc2)c1)C(=O)N(C)C
InChIInChI=1S/C18H22N4O3/c1-13(17(23)22(2)3)20-18(24)21-15-9-10-19-16(11-15)25-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H2,19,20,21,24)/t13-/m0/s1
InChIKeyNXBJTDBACMFWHB-ZDUSSCGKSA-N
MW342.40 g/mol
LogP2.26
Rot. Bonds6

About (2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide

(2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide (PubChem CID 122159596) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide
PubChem CID122159596
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide
SMILESC[C@H](NC(=O)Nc1ccnc(OCc2ccccc2)c1)C(=O)N(C)C
InChIInChI=1S/C18H22N4O3/c1-13(17(23)22(2)3)20-18(24)21-15-9-10-19-16(11-15)25-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H2,19,20,21,24)/t13-/m0/s1
InChIKeyNXBJTDBACMFWHB-ZDUSSCGKSA-N
XLogP2.26
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide
CID 124735239
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea
CID 122159595
methyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate
CID 119051586
7-fluoro-N-(2-phenylmethoxy-4-pyridinyl)quinoxaline-5-carboxamide
CID 166179906
2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 61465784
N-[1-oxo-1-(propylamino)propan-2-yl]-2-phenylmethoxypyridine-4-carboxamide
CID 51091437
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid
CID 120529904
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide
CID 99812235
2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide
CID 54955307
(2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide
CID 94822181
1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
CID 87004224

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide (CID 122159596) is (2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide is C[C@H](NC(=O)Nc1ccnc(OCc2ccccc2)c1)C(=O)N(C)C.
What is the InChIKey of (2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide?
The InChIKey is NXBJTDBACMFWHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13(17(23)22(2)3)20-18(24)21-15-9-10-19-16(11-15)25-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H2,19,20,21,24)/t13-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide?
(2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide has a molecular weight of 342.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide is sourced from PubChem (CID 122159596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).