4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide

C16H19N5O3 — CID 144599383

IUPAC4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide
SMILESC[C@H](O)[C@@H](NC(=O)Nc1cc(N)c(C(N)=O)cn1)c1ccccc1
InChIInChI=1S/C16H19N5O3/c1-9(22)14(10-5-3-2-4-6-10)21-16(24)20-13-7-12(17)11(8-19-13)15(18)23/h2-9,14,22H,1H3,(H2,18,23)(H4,17,19,20,21,24)/t9-,14+/m0/s1
InChIKeyQRSJRUPSFSOMPY-LKFCYVNXSA-N
MW329.36 g/mol
LogP1.01
Rot. Bonds5

About 4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide

4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide (PubChem CID 144599383) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide
PubChem CID144599383
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide
SMILESC[C@H](O)[C@@H](NC(=O)Nc1cc(N)c(C(N)=O)cn1)c1ccccc1
InChIInChI=1S/C16H19N5O3/c1-9(22)14(10-5-3-2-4-6-10)21-16(24)20-13-7-12(17)11(8-19-13)15(18)23/h2-9,14,22H,1H3,(H2,18,23)(H4,17,19,20,21,24)/t9-,14+/m0/s1
InChIKeyQRSJRUPSFSOMPY-LKFCYVNXSA-N
XLogP1.01
TPSA143.36 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
CID 123695637
2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
CID 123531420
1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea
CID 135293192
N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide
CID 135293439
1-[amino-[4-amino-6-(1-phenylethylcarbamoylamino)-3-pyridinyl]methylidene]-3-propan-2-ylurea
CID 123235333
1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 123506062
1-[4-amino-5-[N'-(3-oxocyclopenten-1-yl)carbamimidoyl]-2-pyridinyl]-3-(1-phenylethyl)urea
CID 123347814
N-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidoyl]-N-methylacetamide
CID 144598905
1-[4-amino-5-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]-2-pyridinyl]-3-[(1S)-2-methoxy-1-phenylethyl]urea
CID 162593837
1-[4-amino-5-(N'-ethylcarbamimidoyl)-2-pyridinyl]-3-(1-pyridin-3-ylethyl)urea
CID 135293264
1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)urea
CID 123405624
methyl N-[amino-[4-amino-6-[1-(2-fluorophenyl)ethylcarbamoylamino]-3-pyridinyl]methylidene]carbamate
CID 123585268

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide?
The IUPAC name of 4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide (CID 144599383) is 4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide is C[C@H](O)[C@@H](NC(=O)Nc1cc(N)c(C(N)=O)cn1)c1ccccc1.
What is the InChIKey of 4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide?
The InChIKey is QRSJRUPSFSOMPY-LKFCYVNXSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-9(22)14(10-5-3-2-4-6-10)21-16(24)20-13-7-12(17)11(8-19-13)15(18)23/h2-9,14,22H,1H3,(H2,18,23)(H4,17,19,20,21,24)/t9-,14+/m0/s1.
What are the key properties of 4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide?
4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.01, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide is sourced from PubChem (CID 144599383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).