N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide

C19H18FN7O — CID 173466536

IUPACN-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide
SMILES[H]/N=C(\NC=O)c1cc(Nc2cnccn2)nc(N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C19H18FN7O/c1-12(13-2-4-15(20)5-3-13)25-16-8-14(19(21)24-11-28)9-17(26-16)27-18-10-22-6-7-23-18/h2-12H,1H3,(H2,21,24,28)(H2,23,25,26,27)/t12-/m0/s1
InChIKeyLLXZPALUTBWUOR-LBPRGKRZSA-N
MW379.40 g/mol
LogP3.00
Rot. Bonds7

About N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide

N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide (PubChem CID 173466536) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide
PubChem CID173466536
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC NameN-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide
SMILES[H]/N=C(\NC=O)c1cc(Nc2cnccn2)nc(N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C19H18FN7O/c1-12(13-2-4-15(20)5-3-13)25-16-8-14(19(21)24-11-28)9-17(26-16)27-18-10-22-6-7-23-18/h2-12H,1H3,(H2,21,24,28)(H2,23,25,26,27)/t12-/m0/s1
InChIKeyLLXZPALUTBWUOR-LBPRGKRZSA-N
XLogP3.00
TPSA115.68 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyrimidine-4-carboximidoyl]formamide
CID 173466535
1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride
CID 67008144
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide
CID 46865922
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-propyl-6-(pyrazin-2-ylamino)pyridine-4-carboxamide
CID 46866024
2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol
CID 46866428
1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]-3-methylazetidin-3-ol
CID 67007064
N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 60631879
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 56837785
4-N-[2-(dimethylamino)ethyl]-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,4,6-triamine
CID 56600393
6-N-[1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 75236651
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 70672027
1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol
CID 67007656

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide?
The IUPAC name of N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide (CID 173466536) is N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide.
What is the SMILES notation for N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide?
The canonical SMILES for N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide is [H]/N=C(\NC=O)c1cc(Nc2cnccn2)nc(N[C@@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide?
The InChIKey is LLXZPALUTBWUOR-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18FN7O/c1-12(13-2-4-15(20)5-3-13)25-16-8-14(19(21)24-11-28)9-17(26-16)27-18-10-22-6-7-23-18/h2-12H,1H3,(H2,21,24,28)(H2,23,25,26,27)/t12-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide?
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide has a molecular weight of 379.40 g/mol, XLogP of 3.00, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide is sourced from PubChem (CID 173466536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).